(4R)-1-methyl-4-[(5Z,10S,14S,18S)-6,10,14,18,22-pentamethyltricosa-1,5-dien-2-yl]cyclohexene

C35H64 — CID 162876231

IUPAC(4R)-1-methyl-4-[(5Z,10S,14S,18S)-6,10,14,18,22-pentamethyltricosa-1,5-dien-2-yl]cyclohexene
SMILESC=C(CC/C=C(/C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C)[C@H]1CC=C(C)CC1
InChIInChI=1S/C35H64/c1-28(2)14-9-15-29(3)16-10-17-30(4)18-11-19-31(5)20-12-21-32(6)22-13-23-34(8)35-26-24-33(7)25-27-35/h22,24,28-31,35H,8-21,23,25-27H2,1-7H3/b32-22-/t29-,30-,31-,35-/m0/s1
InChIKeyHYJZKCOWAKHVCB-MPVNVHFZSA-N
MW484.90 g/mol
LogP12.26
Rot. Bonds20

About (4R)-1-methyl-4-[(5Z,10S,14S,18S)-6,10,14,18,22-pentamethyltricosa-1,5-dien-2-yl]cyclohexene

(4R)-1-methyl-4-[(5Z,10S,14S,18S)-6,10,14,18,22-pentamethyltricosa-1,5-dien-2-yl]cyclohexene (PubChem CID 162876231) has the molecular formula C35H64 and a molecular weight of 484.90 g/mol. Its IUPAC name is (4R)-1-methyl-4-[(5Z,10S,14S,18S)-6,10,14,18,22-pentamethyltricosa-1,5-dien-2-yl]cyclohexene.

Molecular Properties

Compound Name(4R)-1-methyl-4-[(5Z,10S,14S,18S)-6,10,14,18,22-pentamethyltricosa-1,5-dien-2-yl]cyclohexene
PubChem CID162876231
Molecular FormulaC35H64
Molecular Weight484.90 g/mol
Exact Mass484.50
IUPAC Name(4R)-1-methyl-4-[(5Z,10S,14S,18S)-6,10,14,18,22-pentamethyltricosa-1,5-dien-2-yl]cyclohexene
SMILESC=C(CC/C=C(/C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C)[C@H]1CC=C(C)CC1
InChIInChI=1S/C35H64/c1-28(2)14-9-15-29(3)16-10-17-30(4)18-11-19-31(5)20-12-21-32(6)22-13-23-34(8)35-26-24-33(7)25-27-35/h22,24,28-31,35H,8-21,23,25-27H2,1-7H3/b32-22-/t29-,30-,31-,35-/m0/s1
InChIKeyHYJZKCOWAKHVCB-MPVNVHFZSA-N
XLogP12.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds20
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.90
LogP ≤ 512.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-4-[(5E)-6,10,14,18,22-pentamethyltricosa-1,5-dien-2-yl]cyclohexene
CID 101380860
2-methyl-6-(4-methylcyclohex-3-en-1-yl)hepta-2,6-dien-1-ol
CID 529890
(2E)-2-methyl-6-[(1R)-4-methylcyclohex-3-en-1-yl]hepta-2,6-dien-1-ol
CID 158432615
4-(6-methylhepta-1,5-dien-2-yl)-1-(4-methylpentyl)cyclohexene
CID 170652574
3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2,6,10,14,18,22,26,30-octaen-1-ol
CID 162895181
1-methyl-4-prop-1-en-2-ylcyclohexene;(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-ol
CID 167683772
2-methyl-6-(4-methylcyclohex-3-en-1-yl)hept-6-en-3-one
CID 101417495
1-methyl-4-[(2E)-6-methylhepta-2,5-dien-2-yl]cyclohexene;1-methyl-4-(6-methylhepta-1,5-dien-2-yl)cyclohexene;(4E)-1-methyl-4-(6-methylhept-5-en-2-ylidene)cyclohexene
CID 157469263
6,10-dimethylundec-1-en-2-ylcyclopropane
CID 123693497
4-dec-1-en-2-yl-1-methylcyclohexene
CID 71334029
(4R)-4-dec-1-en-2-yl-1-methylcyclohexene
CID 71355646
[(1E,4R,7E,11E)-7,11-dimethyl-4-(6-methylhepta-1,5-dien-2-yl)cyclotetradeca-1,7,11-trien-1-yl]methanol
CID 162947061

Frequently Asked Questions

What is the IUPAC name of (4R)-1-methyl-4-[(5Z,10S,14S,18S)-6,10,14,18,22-pentamethyltricosa-1,5-dien-2-yl]cyclohexene?
The IUPAC name of (4R)-1-methyl-4-[(5Z,10S,14S,18S)-6,10,14,18,22-pentamethyltricosa-1,5-dien-2-yl]cyclohexene (CID 162876231) is (4R)-1-methyl-4-[(5Z,10S,14S,18S)-6,10,14,18,22-pentamethyltricosa-1,5-dien-2-yl]cyclohexene.
What is the SMILES notation for (4R)-1-methyl-4-[(5Z,10S,14S,18S)-6,10,14,18,22-pentamethyltricosa-1,5-dien-2-yl]cyclohexene?
The canonical SMILES for (4R)-1-methyl-4-[(5Z,10S,14S,18S)-6,10,14,18,22-pentamethyltricosa-1,5-dien-2-yl]cyclohexene is C=C(CC/C=C(/C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C)[C@H]1CC=C(C)CC1.
What is the InChIKey of (4R)-1-methyl-4-[(5Z,10S,14S,18S)-6,10,14,18,22-pentamethyltricosa-1,5-dien-2-yl]cyclohexene?
The InChIKey is HYJZKCOWAKHVCB-MPVNVHFZSA-N. The full InChI is InChI=1S/C35H64/c1-28(2)14-9-15-29(3)16-10-17-30(4)18-11-19-31(5)20-12-21-32(6)22-13-23-34(8)35-26-24-33(7)25-27-35/h22,24,28-31,35H,8-21,23,25-27H2,1-7H3/b32-22-/t29-,30-,31-,35-/m0/s1.
What are the key properties of (4R)-1-methyl-4-[(5Z,10S,14S,18S)-6,10,14,18,22-pentamethyltricosa-1,5-dien-2-yl]cyclohexene?
(4R)-1-methyl-4-[(5Z,10S,14S,18S)-6,10,14,18,22-pentamethyltricosa-1,5-dien-2-yl]cyclohexene has a molecular weight of 484.90 g/mol, XLogP of 12.26, 20 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-methyl-4-[(5Z,10S,14S,18S)-6,10,14,18,22-pentamethyltricosa-1,5-dien-2-yl]cyclohexene is sourced from PubChem (CID 162876231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).