1,2,3,4,5,8-hexamethyl-6,7-bis(prop-1-en-2-yl)naphthalene;methane;1,2,3,4,5-pentamethyl-6-(3-methylbut-2-en-2-yl)benzene;1,2,3,4-tetramethyl-5,6-bis(prop-1-en-2-yl)benzene;(3Z)-2,3,4,5-tetramethylhexa-1,3,5-triene

C69H110 — CID 161054895

IUPAC1,2,3,4,5,8-hexamethyl-6,7-bis(prop-1-en-2-yl)naphthalene;methane;1,2,3,4,5-pentamethyl-6-(3-methylbut-2-en-2-yl)benzene;1,2,3,4-tetramethyl-5,6-bis(prop-1-en-2-yl)benzene;(3Z)-2,3,4,5-tetramethylhexa-1,3,5-triene
SMILESC.C.C.C.C.C=C(C)/C(C)=C(/C)C(=C)C.C=C(C)c1c(C(=C)C)c(C)c2c(C)c(C)c(C)c(C)c2c1C.C=C(C)c1c(C)c(C)c(C)c(C)c1C(=C)C.CC(C)=C(C)c1c(C)c(C)c(C)c(C)c1C
InChIInChI=1S/C22H28.C16H24.C16H22.C10H16.5CH4/c1-11(2)19-17(9)21-15(7)13(5)14(6)16(8)22(21)18(10)20(19)12(3)4;1-9(2)10(3)16-14(7)12(5)11(4)13(6)15(16)8;1-9(2)15-13(7)11(5)12(6)14(8)16(15)10(3)4;1-7(2)9(5)10(6)8(3)4;;;;;/h1,3H2,2,4-10H3;1-8H3;1,3H2,2,4-8H3;1,3H2,2,4-6H3;5*1H4/b;;;10-9-;;;;;
InChIKeyUCPRPPZAKSJRHP-CFIIJFSRSA-N
MW939.64 g/mol
LogP23.44
Rot. Bonds7

About 1,2,3,4,5,8-hexamethyl-6,7-bis(prop-1-en-2-yl)naphthalene;methane;1,2,3,4,5-pentamethyl-6-(3-methylbut-2-en-2-yl)benzene;1,2,3,4-tetramethyl-5,6-bis(prop-1-en-2-yl)benzene;(3Z)-2,3,4,5-tetramethylhexa-1,3,5-triene

1,2,3,4,5,8-hexamethyl-6,7-bis(prop-1-en-2-yl)naphthalene;methane;1,2,3,4,5-pentamethyl-6-(3-methylbut-2-en-2-yl)benzene;1,2,3,4-tetramethyl-5,6-bis(prop-1-en-2-yl)benzene;(3Z)-2,3,4,5-tetramethylhexa-1,3,5-triene (PubChem CID 161054895) has the molecular formula C69H110 and a molecular weight of 939.64 g/mol. Its IUPAC name is 1,2,3,4,5,8-hexamethyl-6,7-bis(prop-1-en-2-yl)naphthalene;methane;1,2,3,4,5-pentamethyl-6-(3-methylbut-2-en-2-yl)benzene;1,2,3,4-tetramethyl-5,6-bis(prop-1-en-2-yl)benzene;(3Z)-2,3,4,5-tetramethylhexa-1,3,5-triene.

Molecular Properties

Compound Name1,2,3,4,5,8-hexamethyl-6,7-bis(prop-1-en-2-yl)naphthalene;methane;1,2,3,4,5-pentamethyl-6-(3-methylbut-2-en-2-yl)benzene;1,2,3,4-tetramethyl-5,6-bis(prop-1-en-2-yl)benzene;(3Z)-2,3,4,5-tetramethylhexa-1,3,5-triene
PubChem CID161054895
Molecular FormulaC69H110
Molecular Weight939.64 g/mol
Exact Mass938.86
IUPAC Name1,2,3,4,5,8-hexamethyl-6,7-bis(prop-1-en-2-yl)naphthalene;methane;1,2,3,4,5-pentamethyl-6-(3-methylbut-2-en-2-yl)benzene;1,2,3,4-tetramethyl-5,6-bis(prop-1-en-2-yl)benzene;(3Z)-2,3,4,5-tetramethylhexa-1,3,5-triene
SMILESC.C.C.C.C.C=C(C)/C(C)=C(/C)C(=C)C.C=C(C)c1c(C(=C)C)c(C)c2c(C)c(C)c(C)c(C)c2c1C.C=C(C)c1c(C)c(C)c(C)c(C)c1C(=C)C.CC(C)=C(C)c1c(C)c(C)c(C)c(C)c1C
InChIInChI=1S/C22H28.C16H24.C16H22.C10H16.5CH4/c1-11(2)19-17(9)21-15(7)13(5)14(6)16(8)22(21)18(10)20(19)12(3)4;1-9(2)10(3)16-14(7)12(5)11(4)13(6)15(16)8;1-9(2)15-13(7)11(5)12(6)14(8)16(15)10(3)4;1-7(2)9(5)10(6)8(3)4;;;;;/h1,3H2,2,4-10H3;1-8H3;1,3H2,2,4-8H3;1,3H2,2,4-6H3;5*1H4/b;;;10-9-;;;;;
InChIKeyUCPRPPZAKSJRHP-CFIIJFSRSA-N
XLogP23.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500939.64
LogP ≤ 523.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 1,2,3,4,5,8-hexamethyl-6,7-bis(prop-1-en-2-yl)naphthalene;methane;1,2,3,4,5-pentamethyl-6-(3-methylbut-2-en-2-yl)benzene;1,2,3,4-tetramethyl-5,6-bis(prop-1-en-2-yl)benzene;(3Z)-2,3,4,5-tetramethylhexa-1,3,5-triene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5,8-hexamethyl-6,7-bis(prop-1-en-2-yl)naphthalene;methane;1,2,3,4,5-pentamethyl-6-(3-methylbut-2-en-2-yl)benzene;1,2,3,4-tetramethyl-5,6-bis(prop-1-en-2-yl)benzene;(3Z)-2,3,4,5-tetramethylhexa-1,3,5-triene?
The IUPAC name of 1,2,3,4,5,8-hexamethyl-6,7-bis(prop-1-en-2-yl)naphthalene;methane;1,2,3,4,5-pentamethyl-6-(3-methylbut-2-en-2-yl)benzene;1,2,3,4-tetramethyl-5,6-bis(prop-1-en-2-yl)benzene;(3Z)-2,3,4,5-tetramethylhexa-1,3,5-triene (CID 161054895) is 1,2,3,4,5,8-hexamethyl-6,7-bis(prop-1-en-2-yl)naphthalene;methane;1,2,3,4,5-pentamethyl-6-(3-methylbut-2-en-2-yl)benzene;1,2,3,4-tetramethyl-5,6-bis(prop-1-en-2-yl)benzene;(3Z)-2,3,4,5-tetramethylhexa-1,3,5-triene.
What is the SMILES notation for 1,2,3,4,5,8-hexamethyl-6,7-bis(prop-1-en-2-yl)naphthalene;methane;1,2,3,4,5-pentamethyl-6-(3-methylbut-2-en-2-yl)benzene;1,2,3,4-tetramethyl-5,6-bis(prop-1-en-2-yl)benzene;(3Z)-2,3,4,5-tetramethylhexa-1,3,5-triene?
The canonical SMILES for 1,2,3,4,5,8-hexamethyl-6,7-bis(prop-1-en-2-yl)naphthalene;methane;1,2,3,4,5-pentamethyl-6-(3-methylbut-2-en-2-yl)benzene;1,2,3,4-tetramethyl-5,6-bis(prop-1-en-2-yl)benzene;(3Z)-2,3,4,5-tetramethylhexa-1,3,5-triene is C.C.C.C.C.C=C(C)/C(C)=C(/C)C(=C)C.C=C(C)c1c(C(=C)C)c(C)c2c(C)c(C)c(C)c(C)c2c1C.C=C(C)c1c(C)c(C)c(C)c(C)c1C(=C)C.CC(C)=C(C)c1c(C)c(C)c(C)c(C)c1C.
What is the InChIKey of 1,2,3,4,5,8-hexamethyl-6,7-bis(prop-1-en-2-yl)naphthalene;methane;1,2,3,4,5-pentamethyl-6-(3-methylbut-2-en-2-yl)benzene;1,2,3,4-tetramethyl-5,6-bis(prop-1-en-2-yl)benzene;(3Z)-2,3,4,5-tetramethylhexa-1,3,5-triene?
The InChIKey is UCPRPPZAKSJRHP-CFIIJFSRSA-N. The full InChI is InChI=1S/C22H28.C16H24.C16H22.C10H16.5CH4/c1-11(2)19-17(9)21-15(7)13(5)14(6)16(8)22(21)18(10)20(19)12(3)4;1-9(2)10(3)16-14(7)12(5)11(4)13(6)15(16)8;1-9(2)15-13(7)11(5)12(6)14(8)16(15)10(3)4;1-7(2)9(5)10(6)8(3)4;;;;;/h1,3H2,2,4-10H3;1-8H3;1,3H2,2,4-8H3;1,3H2,2,4-6H3;5*1H4/b;;;10-9-;;;;;.
What are the key properties of 1,2,3,4,5,8-hexamethyl-6,7-bis(prop-1-en-2-yl)naphthalene;methane;1,2,3,4,5-pentamethyl-6-(3-methylbut-2-en-2-yl)benzene;1,2,3,4-tetramethyl-5,6-bis(prop-1-en-2-yl)benzene;(3Z)-2,3,4,5-tetramethylhexa-1,3,5-triene?
1,2,3,4,5,8-hexamethyl-6,7-bis(prop-1-en-2-yl)naphthalene;methane;1,2,3,4,5-pentamethyl-6-(3-methylbut-2-en-2-yl)benzene;1,2,3,4-tetramethyl-5,6-bis(prop-1-en-2-yl)benzene;(3Z)-2,3,4,5-tetramethylhexa-1,3,5-triene has a molecular weight of 939.64 g/mol, XLogP of 23.44, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5,8-hexamethyl-6,7-bis(prop-1-en-2-yl)naphthalene;methane;1,2,3,4,5-pentamethyl-6-(3-methylbut-2-en-2-yl)benzene;1,2,3,4-tetramethyl-5,6-bis(prop-1-en-2-yl)benzene;(3Z)-2,3,4,5-tetramethylhexa-1,3,5-triene is sourced from PubChem (CID 161054895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).