(1R,2S,5R)-1-[(E)-hex-1-enyl]-5-methyl-2-propan-2-ylcyclohexan-1-ol

C16H30O — CID 15357317

IUPAC(1R,2S,5R)-1-[(E)-hex-1-enyl]-5-methyl-2-propan-2-ylcyclohexan-1-ol
SMILESCCCC/C=C/[C@]1(O)C[C@H](C)CC[C@H]1C(C)C
InChIInChI=1S/C16H30O/c1-5-6-7-8-11-16(17)12-14(4)9-10-15(16)13(2)3/h8,11,13-15,17H,5-7,9-10,12H2,1-4H3/b11-8+/t14-,15+,16+/m1/s1
InChIKeyBFCNDYXNNBLVFW-UHITTWDOSA-N
MW238.41 g/mol
LogP4.56
Rot. Bonds5

About (1R,2S,5R)-1-[(E)-hex-1-enyl]-5-methyl-2-propan-2-ylcyclohexan-1-ol

(1R,2S,5R)-1-[(E)-hex-1-enyl]-5-methyl-2-propan-2-ylcyclohexan-1-ol (PubChem CID 15357317) has the molecular formula C16H30O and a molecular weight of 238.41 g/mol. Its IUPAC name is (1R,2S,5R)-1-[(E)-hex-1-enyl]-5-methyl-2-propan-2-ylcyclohexan-1-ol.

Molecular Properties

Compound Name(1R,2S,5R)-1-[(E)-hex-1-enyl]-5-methyl-2-propan-2-ylcyclohexan-1-ol
PubChem CID15357317
Molecular FormulaC16H30O
Molecular Weight238.41 g/mol
Exact Mass238.23
IUPAC Name(1R,2S,5R)-1-[(E)-hex-1-enyl]-5-methyl-2-propan-2-ylcyclohexan-1-ol
SMILESCCCC/C=C/[C@]1(O)C[C@H](C)CC[C@H]1C(C)C
InChIInChI=1S/C16H30O/c1-5-6-7-8-11-16(17)12-14(4)9-10-15(16)13(2)3/h8,11,13-15,17H,5-7,9-10,12H2,1-4H3/b11-8+/t14-,15+,16+/m1/s1
InChIKeyBFCNDYXNNBLVFW-UHITTWDOSA-N
XLogP4.56
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.41
LogP ≤ 54.56
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

epi-alpha-Cadinol
CID 160799
Alpha-Cadinol
CID 10398656
delta-Cadinol
CID 3084311
Zingiberenol
CID 13213649
(+)-Epicubenol
CID 11831045
epi-alpha-Muurolol
CID 3084331
Cadin-4-en-10-ol
CID 519662
Cubenol
CID 11770062
(+)-tau-Muurolol
CID 51394521
1-Isopropyl-4,7-dimethyl-1,3,4,5,6,8a-hexahydro-4a(2H)-naphthalenol
CID 519857
18-Deoxysagittarol
CID 12305526
Cadinol
CID 6428423

Frequently Asked Questions

What is the IUPAC name of (1R,2S,5R)-1-[(E)-hex-1-enyl]-5-methyl-2-propan-2-ylcyclohexan-1-ol?
The IUPAC name of (1R,2S,5R)-1-[(E)-hex-1-enyl]-5-methyl-2-propan-2-ylcyclohexan-1-ol (CID 15357317) is (1R,2S,5R)-1-[(E)-hex-1-enyl]-5-methyl-2-propan-2-ylcyclohexan-1-ol.
What is the SMILES notation for (1R,2S,5R)-1-[(E)-hex-1-enyl]-5-methyl-2-propan-2-ylcyclohexan-1-ol?
The canonical SMILES for (1R,2S,5R)-1-[(E)-hex-1-enyl]-5-methyl-2-propan-2-ylcyclohexan-1-ol is CCCC/C=C/[C@]1(O)C[C@H](C)CC[C@H]1C(C)C.
What is the InChIKey of (1R,2S,5R)-1-[(E)-hex-1-enyl]-5-methyl-2-propan-2-ylcyclohexan-1-ol?
The InChIKey is BFCNDYXNNBLVFW-UHITTWDOSA-N. The full InChI is InChI=1S/C16H30O/c1-5-6-7-8-11-16(17)12-14(4)9-10-15(16)13(2)3/h8,11,13-15,17H,5-7,9-10,12H2,1-4H3/b11-8+/t14-,15+,16+/m1/s1.
What are the key properties of (1R,2S,5R)-1-[(E)-hex-1-enyl]-5-methyl-2-propan-2-ylcyclohexan-1-ol?
(1R,2S,5R)-1-[(E)-hex-1-enyl]-5-methyl-2-propan-2-ylcyclohexan-1-ol has a molecular weight of 238.41 g/mol, XLogP of 4.56, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,5R)-1-[(E)-hex-1-enyl]-5-methyl-2-propan-2-ylcyclohexan-1-ol is sourced from PubChem (CID 15357317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).