(1S)-7-methyl-4-methylidene-1-(4-propan-2-ylcyclohexyl)octan-1-ol

C19H36O — CID 118287020

IUPAC(1S)-7-methyl-4-methylidene-1-(4-propan-2-ylcyclohexyl)octan-1-ol
SMILESC=C(CCC(C)C)CC[C@H](O)C1CCC(C(C)C)CC1
InChIInChI=1S/C19H36O/c1-14(2)6-7-16(5)8-13-19(20)18-11-9-17(10-12-18)15(3)4/h14-15,17-20H,5-13H2,1-4H3/t17?,18?,19-/m0/s1
InChIKeyGVSUKQGPFOXKJC-ACBHZAAOSA-N
MW280.50 g/mol
LogP5.58
Rot. Bonds8

About (1S)-7-methyl-4-methylidene-1-(4-propan-2-ylcyclohexyl)octan-1-ol

(1S)-7-methyl-4-methylidene-1-(4-propan-2-ylcyclohexyl)octan-1-ol (PubChem CID 118287020) has the molecular formula C19H36O and a molecular weight of 280.50 g/mol. Its IUPAC name is (1S)-7-methyl-4-methylidene-1-(4-propan-2-ylcyclohexyl)octan-1-ol.

Molecular Properties

Compound Name(1S)-7-methyl-4-methylidene-1-(4-propan-2-ylcyclohexyl)octan-1-ol
PubChem CID118287020
Molecular FormulaC19H36O
Molecular Weight280.50 g/mol
Exact Mass280.28
IUPAC Name(1S)-7-methyl-4-methylidene-1-(4-propan-2-ylcyclohexyl)octan-1-ol
SMILESC=C(CCC(C)C)CC[C@H](O)C1CCC(C(C)C)CC1
InChIInChI=1S/C19H36O/c1-14(2)6-7-16(5)8-13-19(20)18-11-9-17(10-12-18)15(3)4/h14-15,17-20H,5-13H2,1-4H3/t17?,18?,19-/m0/s1
InChIKeyGVSUKQGPFOXKJC-ACBHZAAOSA-N
XLogP5.58
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.50
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (1S)-7-methyl-4-methylidene-1-(4-propan-2-ylcyclohexyl)octan-1-ol with MolForge

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Related Compounds

2,8-dimethyl-5-methylidenenonane
CID 545812
1-(4-propan-2-ylcyclohexyl)pent-4-yn-1-ol
CID 65423161
1-(4-propan-2-ylcycloheptyl)butan-1-ol
CID 83050929
5-methyl-1-(4-methylcyclohexyl)hexan-1-ol
CID 83158070
1-(4,4-difluorocyclohexyl)-4-methylpent-4-en-1-ol
CID 105127383
5,5,5-trifluoro-1-(4-propan-2-ylcyclohexyl)pentan-1-ol
CID 113326892
1-[4-methyl-1-(4-propan-2-ylcyclohexyl)pentyl]-4-propan-2-ylcyclohexane
CID 59268412
5-methylhex-1-en-2-ylphosphane
CID 143105119
1-cyclopropyl-3-methylbut-3-en-1-ol
CID 79179792
1-cyclopropylpentan-1-ol
CID 551238
(1S)-1-cyclopropyl-3-(methylamino)propan-1-ol
CID 129371678
2-methyl-5-methylideneundecane
CID 54320712

Frequently Asked Questions

What is the IUPAC name of (1S)-7-methyl-4-methylidene-1-(4-propan-2-ylcyclohexyl)octan-1-ol?
The IUPAC name of (1S)-7-methyl-4-methylidene-1-(4-propan-2-ylcyclohexyl)octan-1-ol (CID 118287020) is (1S)-7-methyl-4-methylidene-1-(4-propan-2-ylcyclohexyl)octan-1-ol.
What is the SMILES notation for (1S)-7-methyl-4-methylidene-1-(4-propan-2-ylcyclohexyl)octan-1-ol?
The canonical SMILES for (1S)-7-methyl-4-methylidene-1-(4-propan-2-ylcyclohexyl)octan-1-ol is C=C(CCC(C)C)CC[C@H](O)C1CCC(C(C)C)CC1.
What is the InChIKey of (1S)-7-methyl-4-methylidene-1-(4-propan-2-ylcyclohexyl)octan-1-ol?
The InChIKey is GVSUKQGPFOXKJC-ACBHZAAOSA-N. The full InChI is InChI=1S/C19H36O/c1-14(2)6-7-16(5)8-13-19(20)18-11-9-17(10-12-18)15(3)4/h14-15,17-20H,5-13H2,1-4H3/t17?,18?,19-/m0/s1.
What are the key properties of (1S)-7-methyl-4-methylidene-1-(4-propan-2-ylcyclohexyl)octan-1-ol?
(1S)-7-methyl-4-methylidene-1-(4-propan-2-ylcyclohexyl)octan-1-ol has a molecular weight of 280.50 g/mol, XLogP of 5.58, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-7-methyl-4-methylidene-1-(4-propan-2-ylcyclohexyl)octan-1-ol is sourced from PubChem (CID 118287020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).