(2R,4S)-3-butoxy-1-cyclohexyl-2,4-dimethylhex-5-en-1-ol

C18H34O2 — CID 89185131

IUPAC(2R,4S)-3-butoxy-1-cyclohexyl-2,4-dimethylhex-5-en-1-ol
SMILESC=C[C@H](C)C(OCCCC)[C@H](C)C(O)C1CCCCC1
InChIInChI=1S/C18H34O2/c1-5-7-13-20-18(14(3)6-2)15(4)17(19)16-11-9-8-10-12-16/h6,14-19H,2,5,7-13H2,1,3-4H3/t14-,15+,17?,18?/m0/s1
InChIKeyHSQIGEMWDJGGNK-WPAPPDIDSA-N
MW282.47 g/mol
LogP4.57
Rot. Bonds9

About (2R,4S)-3-butoxy-1-cyclohexyl-2,4-dimethylhex-5-en-1-ol

(2R,4S)-3-butoxy-1-cyclohexyl-2,4-dimethylhex-5-en-1-ol (PubChem CID 89185131) has the molecular formula C18H34O2 and a molecular weight of 282.47 g/mol. Its IUPAC name is (2R,4S)-3-butoxy-1-cyclohexyl-2,4-dimethylhex-5-en-1-ol.

Molecular Properties

Compound Name(2R,4S)-3-butoxy-1-cyclohexyl-2,4-dimethylhex-5-en-1-ol
PubChem CID89185131
Molecular FormulaC18H34O2
Molecular Weight282.47 g/mol
Exact Mass282.26
IUPAC Name(2R,4S)-3-butoxy-1-cyclohexyl-2,4-dimethylhex-5-en-1-ol
SMILESC=C[C@H](C)C(OCCCC)[C@H](C)C(O)C1CCCCC1
InChIInChI=1S/C18H34O2/c1-5-7-13-20-18(14(3)6-2)15(4)17(19)16-11-9-8-10-12-16/h6,14-19H,2,5,7-13H2,1,3-4H3/t14-,15+,17?,18?/m0/s1
InChIKeyHSQIGEMWDJGGNK-WPAPPDIDSA-N
XLogP4.57
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,4S)-3-butoxy-1-cyclohexyl-2,4-dimethylhex-5-en-1-ol?
The IUPAC name of (2R,4S)-3-butoxy-1-cyclohexyl-2,4-dimethylhex-5-en-1-ol (CID 89185131) is (2R,4S)-3-butoxy-1-cyclohexyl-2,4-dimethylhex-5-en-1-ol.
What is the SMILES notation for (2R,4S)-3-butoxy-1-cyclohexyl-2,4-dimethylhex-5-en-1-ol?
The canonical SMILES for (2R,4S)-3-butoxy-1-cyclohexyl-2,4-dimethylhex-5-en-1-ol is C=C[C@H](C)C(OCCCC)[C@H](C)C(O)C1CCCCC1.
What is the InChIKey of (2R,4S)-3-butoxy-1-cyclohexyl-2,4-dimethylhex-5-en-1-ol?
The InChIKey is HSQIGEMWDJGGNK-WPAPPDIDSA-N. The full InChI is InChI=1S/C18H34O2/c1-5-7-13-20-18(14(3)6-2)15(4)17(19)16-11-9-8-10-12-16/h6,14-19H,2,5,7-13H2,1,3-4H3/t14-,15+,17?,18?/m0/s1.
What are the key properties of (2R,4S)-3-butoxy-1-cyclohexyl-2,4-dimethylhex-5-en-1-ol?
(2R,4S)-3-butoxy-1-cyclohexyl-2,4-dimethylhex-5-en-1-ol has a molecular weight of 282.47 g/mol, XLogP of 4.57, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-3-butoxy-1-cyclohexyl-2,4-dimethylhex-5-en-1-ol is sourced from PubChem (CID 89185131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).