(1S)-1-[(1R)-1-(2-methylpropyl)cyclohex-2-en-1-yl]nonan-1-ol

C19H36O — CID 15398117

IUPAC(1S)-1-[(1R)-1-(2-methylpropyl)cyclohex-2-en-1-yl]nonan-1-ol
SMILESCCCCCCCC[C@H](O)[C@]1(CC(C)C)C=CCCC1
InChIInChI=1S/C19H36O/c1-4-5-6-7-8-10-13-18(20)19(16-17(2)3)14-11-9-12-15-19/h11,14,17-18,20H,4-10,12-13,15-16H2,1-3H3/t18-,19+/m0/s1
InChIKeyFYTZXDZUKFAZAI-RBUKOAKNSA-N
MW280.50 g/mol
LogP5.87
Rot. Bonds10

About (1S)-1-[(1R)-1-(2-methylpropyl)cyclohex-2-en-1-yl]nonan-1-ol

(1S)-1-[(1R)-1-(2-methylpropyl)cyclohex-2-en-1-yl]nonan-1-ol (PubChem CID 15398117) has the molecular formula C19H36O and a molecular weight of 280.50 g/mol. Its IUPAC name is (1S)-1-[(1R)-1-(2-methylpropyl)cyclohex-2-en-1-yl]nonan-1-ol.

Molecular Properties

Compound Name(1S)-1-[(1R)-1-(2-methylpropyl)cyclohex-2-en-1-yl]nonan-1-ol
PubChem CID15398117
Molecular FormulaC19H36O
Molecular Weight280.50 g/mol
Exact Mass280.28
IUPAC Name(1S)-1-[(1R)-1-(2-methylpropyl)cyclohex-2-en-1-yl]nonan-1-ol
SMILESCCCCCCCC[C@H](O)[C@]1(CC(C)C)C=CCCC1
InChIInChI=1S/C19H36O/c1-4-5-6-7-8-10-13-18(20)19(16-17(2)3)14-11-9-12-15-19/h11,14,17-18,20H,4-10,12-13,15-16H2,1-3H3/t18-,19+/m0/s1
InChIKeyFYTZXDZUKFAZAI-RBUKOAKNSA-N
XLogP5.87
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.50
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Zeaxanthin
CID 5280899
Cryptoxanthin
CID 5281235
Dehydrodihydroionol
CID 62126
Zeinoxanthin
CID 5281234
(3S,3'S)-Zeaxanthin
CID 21772452
Camelliol C
CID 6476390
Rubixanthin
CID 5281252
Meso-Zeaxanthin
CID 6442658
(3R,3'R,9-cis)-b,b-Carotene-3,3'-diol
CID 21769059
(3R,3'R,13-cis)-b,b-Carotene-3,3'-diol
CID 21769060
Achilleol A
CID 5471312
Anhydrolutein I
CID 11226631

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[(1R)-1-(2-methylpropyl)cyclohex-2-en-1-yl]nonan-1-ol?
The IUPAC name of (1S)-1-[(1R)-1-(2-methylpropyl)cyclohex-2-en-1-yl]nonan-1-ol (CID 15398117) is (1S)-1-[(1R)-1-(2-methylpropyl)cyclohex-2-en-1-yl]nonan-1-ol.
What is the SMILES notation for (1S)-1-[(1R)-1-(2-methylpropyl)cyclohex-2-en-1-yl]nonan-1-ol?
The canonical SMILES for (1S)-1-[(1R)-1-(2-methylpropyl)cyclohex-2-en-1-yl]nonan-1-ol is CCCCCCCC[C@H](O)[C@]1(CC(C)C)C=CCCC1.
What is the InChIKey of (1S)-1-[(1R)-1-(2-methylpropyl)cyclohex-2-en-1-yl]nonan-1-ol?
The InChIKey is FYTZXDZUKFAZAI-RBUKOAKNSA-N. The full InChI is InChI=1S/C19H36O/c1-4-5-6-7-8-10-13-18(20)19(16-17(2)3)14-11-9-12-15-19/h11,14,17-18,20H,4-10,12-13,15-16H2,1-3H3/t18-,19+/m0/s1.
What are the key properties of (1S)-1-[(1R)-1-(2-methylpropyl)cyclohex-2-en-1-yl]nonan-1-ol?
(1S)-1-[(1R)-1-(2-methylpropyl)cyclohex-2-en-1-yl]nonan-1-ol has a molecular weight of 280.50 g/mol, XLogP of 5.87, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[(1R)-1-(2-methylpropyl)cyclohex-2-en-1-yl]nonan-1-ol is sourced from PubChem (CID 15398117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).