(Z)-2,2,3,3,4,5,6,6,7,7-decamethyloct-4-ene;(4Z,7Z,10Z)-2,2,3,3,4,5,6,6,7,8,9,9,10,11,12,12,13,13-octadecamethyltetradeca-4,7,10-triene;(4Z,7Z)-2,2,3,3,4,5,6,6,7,8,9,9,10,10-tetradecamethylundeca-4,7-diene

C75H144 — CID 160906844

IUPAC(Z)-2,2,3,3,4,5,6,6,7,7-decamethyloct-4-ene;(4Z,7Z,10Z)-2,2,3,3,4,5,6,6,7,8,9,9,10,11,12,12,13,13-octadecamethyltetradeca-4,7,10-triene;(4Z,7Z)-2,2,3,3,4,5,6,6,7,8,9,9,10,10-tetradecamethylundeca-4,7-diene
SMILESC/C(=C(\C)C(C)(C)/C(C)=C(/C)C(C)(C)C(C)(C)C)C(C)(C)/C(C)=C(/C)C(C)(C)C(C)(C)C.C/C(=C(\C)C(C)(C)C(C)(C)C)C(C)(C)/C(C)=C(/C)C(C)(C)C(C)(C)C.C/C(=C(\C)C(C)(C)C(C)(C)C)C(C)(C)C(C)(C)C
InChIInChI=1S/C32H60.C25H48.C18H36/c1-21(29(13,14)23(3)25(5)31(17,18)27(7,8)9)22(2)30(15,16)24(4)26(6)32(19,20)28(10,11)12;1-17(19(3)24(13,14)21(5,6)7)23(11,12)18(2)20(4)25(15,16)22(8,9)10;1-13(17(9,10)15(3,4)5)14(2)18(11,12)16(6,7)8/h1-20H3;1-16H3;1-12H3/b22-21-,25-23-,26-24-;19-17-,20-18-;14-13-
InChIKeySQGJINMAIVBYNY-YIDPIINMSA-N
MW1045.98 g/mol
LogP26.49
Rot. Bonds12

About (Z)-2,2,3,3,4,5,6,6,7,7-decamethyloct-4-ene;(4Z,7Z,10Z)-2,2,3,3,4,5,6,6,7,8,9,9,10,11,12,12,13,13-octadecamethyltetradeca-4,7,10-triene;(4Z,7Z)-2,2,3,3,4,5,6,6,7,8,9,9,10,10-tetradecamethylundeca-4,7-diene

(Z)-2,2,3,3,4,5,6,6,7,7-decamethyloct-4-ene;(4Z,7Z,10Z)-2,2,3,3,4,5,6,6,7,8,9,9,10,11,12,12,13,13-octadecamethyltetradeca-4,7,10-triene;(4Z,7Z)-2,2,3,3,4,5,6,6,7,8,9,9,10,10-tetradecamethylundeca-4,7-diene (PubChem CID 160906844) has the molecular formula C75H144 and a molecular weight of 1045.98 g/mol. Its IUPAC name is (Z)-2,2,3,3,4,5,6,6,7,7-decamethyloct-4-ene;(4Z,7Z,10Z)-2,2,3,3,4,5,6,6,7,8,9,9,10,11,12,12,13,13-octadecamethyltetradeca-4,7,10-triene;(4Z,7Z)-2,2,3,3,4,5,6,6,7,8,9,9,10,10-tetradecamethylundeca-4,7-diene.

Molecular Properties

Compound Name(Z)-2,2,3,3,4,5,6,6,7,7-decamethyloct-4-ene;(4Z,7Z,10Z)-2,2,3,3,4,5,6,6,7,8,9,9,10,11,12,12,13,13-octadecamethyltetradeca-4,7,10-triene;(4Z,7Z)-2,2,3,3,4,5,6,6,7,8,9,9,10,10-tetradecamethylundeca-4,7-diene
PubChem CID160906844
Molecular FormulaC75H144
Molecular Weight1045.98 g/mol
Exact Mass1045.13
IUPAC Name(Z)-2,2,3,3,4,5,6,6,7,7-decamethyloct-4-ene;(4Z,7Z,10Z)-2,2,3,3,4,5,6,6,7,8,9,9,10,11,12,12,13,13-octadecamethyltetradeca-4,7,10-triene;(4Z,7Z)-2,2,3,3,4,5,6,6,7,8,9,9,10,10-tetradecamethylundeca-4,7-diene
SMILESC/C(=C(\C)C(C)(C)/C(C)=C(/C)C(C)(C)C(C)(C)C)C(C)(C)/C(C)=C(/C)C(C)(C)C(C)(C)C.C/C(=C(\C)C(C)(C)C(C)(C)C)C(C)(C)/C(C)=C(/C)C(C)(C)C(C)(C)C.C/C(=C(\C)C(C)(C)C(C)(C)C)C(C)(C)C(C)(C)C
InChIInChI=1S/C32H60.C25H48.C18H36/c1-21(29(13,14)23(3)25(5)31(17,18)27(7,8)9)22(2)30(15,16)24(4)26(6)32(19,20)28(10,11)12;1-17(19(3)24(13,14)21(5,6)7)23(11,12)18(2)20(4)25(15,16)22(8,9)10;1-13(17(9,10)15(3,4)5)14(2)18(11,12)16(6,7)8/h1-20H3;1-16H3;1-12H3/b22-21-,25-23-,26-24-;19-17-,20-18-;14-13-
InChIKeySQGJINMAIVBYNY-YIDPIINMSA-N
XLogP26.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001045.98
LogP ≤ 526.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (Z)-2,2,3,3,4,5,6,6,7,7-decamethyloct-4-ene;(4Z,7Z,10Z)-2,2,3,3,4,5,6,6,7,8,9,9,10,11,12,12,13,13-octadecamethyltetradeca-4,7,10-triene;(4Z,7Z)-2,2,3,3,4,5,6,6,7,8,9,9,10,10-tetradecamethylundeca-4,7-diene with MolForge

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Frequently Asked Questions

What is the IUPAC name of (Z)-2,2,3,3,4,5,6,6,7,7-decamethyloct-4-ene;(4Z,7Z,10Z)-2,2,3,3,4,5,6,6,7,8,9,9,10,11,12,12,13,13-octadecamethyltetradeca-4,7,10-triene;(4Z,7Z)-2,2,3,3,4,5,6,6,7,8,9,9,10,10-tetradecamethylundeca-4,7-diene?
The IUPAC name of (Z)-2,2,3,3,4,5,6,6,7,7-decamethyloct-4-ene;(4Z,7Z,10Z)-2,2,3,3,4,5,6,6,7,8,9,9,10,11,12,12,13,13-octadecamethyltetradeca-4,7,10-triene;(4Z,7Z)-2,2,3,3,4,5,6,6,7,8,9,9,10,10-tetradecamethylundeca-4,7-diene (CID 160906844) is (Z)-2,2,3,3,4,5,6,6,7,7-decamethyloct-4-ene;(4Z,7Z,10Z)-2,2,3,3,4,5,6,6,7,8,9,9,10,11,12,12,13,13-octadecamethyltetradeca-4,7,10-triene;(4Z,7Z)-2,2,3,3,4,5,6,6,7,8,9,9,10,10-tetradecamethylundeca-4,7-diene.
What is the SMILES notation for (Z)-2,2,3,3,4,5,6,6,7,7-decamethyloct-4-ene;(4Z,7Z,10Z)-2,2,3,3,4,5,6,6,7,8,9,9,10,11,12,12,13,13-octadecamethyltetradeca-4,7,10-triene;(4Z,7Z)-2,2,3,3,4,5,6,6,7,8,9,9,10,10-tetradecamethylundeca-4,7-diene?
The canonical SMILES for (Z)-2,2,3,3,4,5,6,6,7,7-decamethyloct-4-ene;(4Z,7Z,10Z)-2,2,3,3,4,5,6,6,7,8,9,9,10,11,12,12,13,13-octadecamethyltetradeca-4,7,10-triene;(4Z,7Z)-2,2,3,3,4,5,6,6,7,8,9,9,10,10-tetradecamethylundeca-4,7-diene is C/C(=C(\C)C(C)(C)/C(C)=C(/C)C(C)(C)C(C)(C)C)C(C)(C)/C(C)=C(/C)C(C)(C)C(C)(C)C.C/C(=C(\C)C(C)(C)C(C)(C)C)C(C)(C)/C(C)=C(/C)C(C)(C)C(C)(C)C.C/C(=C(\C)C(C)(C)C(C)(C)C)C(C)(C)C(C)(C)C.
What is the InChIKey of (Z)-2,2,3,3,4,5,6,6,7,7-decamethyloct-4-ene;(4Z,7Z,10Z)-2,2,3,3,4,5,6,6,7,8,9,9,10,11,12,12,13,13-octadecamethyltetradeca-4,7,10-triene;(4Z,7Z)-2,2,3,3,4,5,6,6,7,8,9,9,10,10-tetradecamethylundeca-4,7-diene?
The InChIKey is SQGJINMAIVBYNY-YIDPIINMSA-N. The full InChI is InChI=1S/C32H60.C25H48.C18H36/c1-21(29(13,14)23(3)25(5)31(17,18)27(7,8)9)22(2)30(15,16)24(4)26(6)32(19,20)28(10,11)12;1-17(19(3)24(13,14)21(5,6)7)23(11,12)18(2)20(4)25(15,16)22(8,9)10;1-13(17(9,10)15(3,4)5)14(2)18(11,12)16(6,7)8/h1-20H3;1-16H3;1-12H3/b22-21-,25-23-,26-24-;19-17-,20-18-;14-13-.
What are the key properties of (Z)-2,2,3,3,4,5,6,6,7,7-decamethyloct-4-ene;(4Z,7Z,10Z)-2,2,3,3,4,5,6,6,7,8,9,9,10,11,12,12,13,13-octadecamethyltetradeca-4,7,10-triene;(4Z,7Z)-2,2,3,3,4,5,6,6,7,8,9,9,10,10-tetradecamethylundeca-4,7-diene?
(Z)-2,2,3,3,4,5,6,6,7,7-decamethyloct-4-ene;(4Z,7Z,10Z)-2,2,3,3,4,5,6,6,7,8,9,9,10,11,12,12,13,13-octadecamethyltetradeca-4,7,10-triene;(4Z,7Z)-2,2,3,3,4,5,6,6,7,8,9,9,10,10-tetradecamethylundeca-4,7-diene has a molecular weight of 1045.98 g/mol, XLogP of 26.49, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2,2,3,3,4,5,6,6,7,7-decamethyloct-4-ene;(4Z,7Z,10Z)-2,2,3,3,4,5,6,6,7,8,9,9,10,11,12,12,13,13-octadecamethyltetradeca-4,7,10-triene;(4Z,7Z)-2,2,3,3,4,5,6,6,7,8,9,9,10,10-tetradecamethylundeca-4,7-diene is sourced from PubChem (CID 160906844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).