(5S)-3-[(1S)-cyclohex-3-en-1-yl]-5-cyclohexyloxyhex-1-en-2-ol

C18H30O2 — CID 89335059

IUPAC(5S)-3-[(1S)-cyclohex-3-en-1-yl]-5-cyclohexyloxyhex-1-en-2-ol
SMILESC=C(O)C(C[C@H](C)OC1CCCCC1)[C@@H]1CC=CCC1
InChIInChI=1S/C18H30O2/c1-14(20-17-11-7-4-8-12-17)13-18(15(2)19)16-9-5-3-6-10-16/h3,5,14,16-19H,2,4,6-13H2,1H3/t14-,16+,18?/m0/s1
InChIKeyOZWZNPQFTHQEQR-QJZXMCBYSA-N
MW278.44 g/mol
LogP5.16
Rot. Bonds6

About (5S)-3-[(1S)-cyclohex-3-en-1-yl]-5-cyclohexyloxyhex-1-en-2-ol

(5S)-3-[(1S)-cyclohex-3-en-1-yl]-5-cyclohexyloxyhex-1-en-2-ol (PubChem CID 89335059) has the molecular formula C18H30O2 and a molecular weight of 278.44 g/mol. Its IUPAC name is (5S)-3-[(1S)-cyclohex-3-en-1-yl]-5-cyclohexyloxyhex-1-en-2-ol.

Molecular Properties

Compound Name(5S)-3-[(1S)-cyclohex-3-en-1-yl]-5-cyclohexyloxyhex-1-en-2-ol
PubChem CID89335059
Molecular FormulaC18H30O2
Molecular Weight278.44 g/mol
Exact Mass278.22
IUPAC Name(5S)-3-[(1S)-cyclohex-3-en-1-yl]-5-cyclohexyloxyhex-1-en-2-ol
SMILESC=C(O)C(C[C@H](C)OC1CCCCC1)[C@@H]1CC=CCC1
InChIInChI=1S/C18H30O2/c1-14(20-17-11-7-4-8-12-17)13-18(15(2)19)16-9-5-3-6-10-16/h3,5,14,16-19H,2,4,6-13H2,1H3/t14-,16+,18?/m0/s1
InChIKeyOZWZNPQFTHQEQR-QJZXMCBYSA-N
XLogP5.16
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.44
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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CID 91254526
4-propan-2-yloxycyclohexene
CID 20567917
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CID 177100043
4-(dicyclohexylmethyl)cyclohexene
CID 23158009
1-cyclohex-3-en-1-yl-2-methylprop-2-en-1-ol
CID 79190134
(4S)-4-[(2S)-butan-2-yl]cyclohexene
CID 175915978
(1R,2R)-1,2-di(cyclohex-3-en-1-yl)ethane-1,2-diol
CID 102217580
N-(2-cycloheptyloxypropyl)aniline
CID 55093129
1-(1-cyclohexyloxypropan-2-yloxy)propan-2-yloxycyclohexane
CID 139806384
2-(cycloheptylamino)-2-cyclohex-3-en-1-ylacetic acid
CID 54893120
cyclohexene;3-cyclohexyloxybutan-2-one;3-hydroxybutan-2-one
CID 158505336
methyl 3-cyclohexyloxybutanoate
CID 43612104

Frequently Asked Questions

What is the IUPAC name of (5S)-3-[(1S)-cyclohex-3-en-1-yl]-5-cyclohexyloxyhex-1-en-2-ol?
The IUPAC name of (5S)-3-[(1S)-cyclohex-3-en-1-yl]-5-cyclohexyloxyhex-1-en-2-ol (CID 89335059) is (5S)-3-[(1S)-cyclohex-3-en-1-yl]-5-cyclohexyloxyhex-1-en-2-ol.
What is the SMILES notation for (5S)-3-[(1S)-cyclohex-3-en-1-yl]-5-cyclohexyloxyhex-1-en-2-ol?
The canonical SMILES for (5S)-3-[(1S)-cyclohex-3-en-1-yl]-5-cyclohexyloxyhex-1-en-2-ol is C=C(O)C(C[C@H](C)OC1CCCCC1)[C@@H]1CC=CCC1.
What is the InChIKey of (5S)-3-[(1S)-cyclohex-3-en-1-yl]-5-cyclohexyloxyhex-1-en-2-ol?
The InChIKey is OZWZNPQFTHQEQR-QJZXMCBYSA-N. The full InChI is InChI=1S/C18H30O2/c1-14(20-17-11-7-4-8-12-17)13-18(15(2)19)16-9-5-3-6-10-16/h3,5,14,16-19H,2,4,6-13H2,1H3/t14-,16+,18?/m0/s1.
What are the key properties of (5S)-3-[(1S)-cyclohex-3-en-1-yl]-5-cyclohexyloxyhex-1-en-2-ol?
(5S)-3-[(1S)-cyclohex-3-en-1-yl]-5-cyclohexyloxyhex-1-en-2-ol has a molecular weight of 278.44 g/mol, XLogP of 5.16, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-[(1S)-cyclohex-3-en-1-yl]-5-cyclohexyloxyhex-1-en-2-ol is sourced from PubChem (CID 89335059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).