1,2,3,4,5,6-hexamethyl-5-(3-methylbut-2-en-2-yl)cyclohexa-1,3-diene;methane

C18H32 — CID 175334158

IUPAC1,2,3,4,5,6-hexamethyl-5-(3-methylbut-2-en-2-yl)cyclohexa-1,3-diene;methane
SMILESC.CC(C)=C(C)C1(C)C(C)=C(C)C(C)=C(C)C1C
InChIInChI=1S/C17H28.CH4/c1-10(2)14(6)17(9)15(7)12(4)11(3)13(5)16(17)8;/h15H,1-9H3;1H4
InChIKeyYHJAYNIBESWZQW-UHFFFAOYSA-N
MW248.45 g/mol
LogP6.31
Rot. Bonds1

About 1,2,3,4,5,6-hexamethyl-5-(3-methylbut-2-en-2-yl)cyclohexa-1,3-diene;methane

1,2,3,4,5,6-hexamethyl-5-(3-methylbut-2-en-2-yl)cyclohexa-1,3-diene;methane (PubChem CID 175334158) has the molecular formula C18H32 and a molecular weight of 248.45 g/mol. Its IUPAC name is 1,2,3,4,5,6-hexamethyl-5-(3-methylbut-2-en-2-yl)cyclohexa-1,3-diene;methane.

Molecular Properties

Compound Name1,2,3,4,5,6-hexamethyl-5-(3-methylbut-2-en-2-yl)cyclohexa-1,3-diene;methane
PubChem CID175334158
Molecular FormulaC18H32
Molecular Weight248.45 g/mol
Exact Mass248.25
IUPAC Name1,2,3,4,5,6-hexamethyl-5-(3-methylbut-2-en-2-yl)cyclohexa-1,3-diene;methane
SMILESC.CC(C)=C(C)C1(C)C(C)=C(C)C(C)=C(C)C1C
InChIInChI=1S/C17H28.CH4/c1-10(2)14(6)17(9)15(7)12(4)11(3)13(5)16(17)8;/h15H,1-9H3;1H4
InChIKeyYHJAYNIBESWZQW-UHFFFAOYSA-N
XLogP6.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500248.45
LogP ≤ 56.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1,2,3,4,5,6-hexamethyl-5-(3-methylbut-2-en-2-yl)cyclohexa-1,3-diene;methane with MolForge

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Related Compounds

Delta-Carotene
CID 6384254
epsilon,psi-Carotene, (6R)-
CID 5281230
alpha-Zeacarotene
CID 6441660
7',8'-Dihydro-e,y-carotene
CID 131752085
Nonaprene
CID 10167700
1,2,3,4-Tetrakis(1,1-dimethylethyl)-1,3-cyclobutadiene
CID 144193
6-(3,7,12,16,20,24-Hexamethylpentacosa-1,3,5,7,9,11,13,15,19,23-decaenyl)-1,5,5-trimethylcyclohexene
CID 440669
(all trans)-delta-Carotene
CID 101697
(6S)-6-[(1E,3E,5E,7E,9E,11E,13E,15E,17E,19E)-3,7,12,16,20,24-hexamethylpentacosa-1,3,5,7,9,11,13,15,17,19,23-undecaenyl]-1,5,5-trimethylcyclohexene
CID 76960323
(4R,6R)-6-[(1E,3E,5E,7E,9E,11E,13E,15E,17E,19E)-3,7,12,16,20,24-hexamethylpentacosa-1,3,5,7,9,11,13,15,17,19,23-undecaenyl]-1,5,5-trimethyl-4-(3-methylbut-2-enyl)cyclohexene
CID 162875205
Bi-2,4-cyclopentadien-1-yl, 1,1',2,2',3,3',4,4',5,5'-decamethyl-
CID 585949
Octamethyl-1,3-cyclohexadiene
CID 600938

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5,6-hexamethyl-5-(3-methylbut-2-en-2-yl)cyclohexa-1,3-diene;methane?
The IUPAC name of 1,2,3,4,5,6-hexamethyl-5-(3-methylbut-2-en-2-yl)cyclohexa-1,3-diene;methane (CID 175334158) is 1,2,3,4,5,6-hexamethyl-5-(3-methylbut-2-en-2-yl)cyclohexa-1,3-diene;methane.
What is the SMILES notation for 1,2,3,4,5,6-hexamethyl-5-(3-methylbut-2-en-2-yl)cyclohexa-1,3-diene;methane?
The canonical SMILES for 1,2,3,4,5,6-hexamethyl-5-(3-methylbut-2-en-2-yl)cyclohexa-1,3-diene;methane is C.CC(C)=C(C)C1(C)C(C)=C(C)C(C)=C(C)C1C.
What is the InChIKey of 1,2,3,4,5,6-hexamethyl-5-(3-methylbut-2-en-2-yl)cyclohexa-1,3-diene;methane?
The InChIKey is YHJAYNIBESWZQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28.CH4/c1-10(2)14(6)17(9)15(7)12(4)11(3)13(5)16(17)8;/h15H,1-9H3;1H4.
What are the key properties of 1,2,3,4,5,6-hexamethyl-5-(3-methylbut-2-en-2-yl)cyclohexa-1,3-diene;methane?
1,2,3,4,5,6-hexamethyl-5-(3-methylbut-2-en-2-yl)cyclohexa-1,3-diene;methane has a molecular weight of 248.45 g/mol, XLogP of 6.31, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5,6-hexamethyl-5-(3-methylbut-2-en-2-yl)cyclohexa-1,3-diene;methane is sourced from PubChem (CID 175334158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).