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

C16H30O — CID 15984657

IUPAC(E,1R)-1-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]hex-2-en-1-ol
SMILESCCC/C=C/[C@@H](O)[C@@H]1C[C@H](C)CC[C@H]1C(C)C
InChIInChI=1S/C16H30O/c1-5-6-7-8-16(17)15-11-13(4)9-10-14(15)12(2)3/h7-8,12-17H,5-6,9-11H2,1-4H3/b8-7+/t13-,14+,15-,16-/m1/s1
InChIKeyKVWMOBQWMIRUMQ-NUFFDZAISA-N
MW238.41 g/mol
LogP4.41
Rot. Bonds5

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

(E,1R)-1-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]hex-2-en-1-ol (PubChem CID 15984657) has the molecular formula C16H30O and a molecular weight of 238.41 g/mol. Its IUPAC name is (E,1R)-1-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]hex-2-en-1-ol.

Molecular Properties

Compound Name(E,1R)-1-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]hex-2-en-1-ol
PubChem CID15984657
Molecular FormulaC16H30O
Molecular Weight238.41 g/mol
Exact Mass238.23
IUPAC Name(E,1R)-1-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]hex-2-en-1-ol
SMILESCCC/C=C/[C@@H](O)[C@@H]1C[C@H](C)CC[C@H]1C(C)C
InChIInChI=1S/C16H30O/c1-5-6-7-8-16(17)15-11-13(4)9-10-14(15)12(2)3/h7-8,12-17H,5-6,9-11H2,1-4H3/b8-7+/t13-,14+,15-,16-/m1/s1
InChIKeyKVWMOBQWMIRUMQ-NUFFDZAISA-N
XLogP4.41
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 ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (E,1R)-1-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]hex-2-en-1-ol with MolForge

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Related Compounds

(E,1S)-3-methyl-1-(5-methyl-2-propan-2-ylcyclohexyl)but-2-ene-1,4-diol
CID 101174952
(2S)-4-methyl-1,2-di(propan-2-yl)cyclohexane
CID 169042978
(E,1S)-1-(5-methyl-2-propan-2-ylcyclohexyl)-3-phenylprop-2-en-1-ol
CID 101174954
1-(5-methyl-2-propan-2-ylcyclohexyl)ethane-1,2-diol
CID 67111388
2-butan-2-yl-4-methyl-1-propan-2-ylcyclohexane
CID 173263952
trans-(1S,4R)-2-butan-2-yl-4-methyl-1-propan-2-ylcyclohexane
CID 142957322
2,6-bis(5-methyl-2-propan-2-ylcyclohexyl)heptan-4-one
CID 21245671
(E,1R)-3-cyclohexyl-1-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]but-2-en-1-ol
CID 101356330
(Z,1S)-1-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-3-phenylbut-2-ene-1,4-diol
CID 101356340
(E,1R)-3-methyl-1-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]-4-phenylbut-2-en-1-ol
CID 101052478
2,4-dimethyl-1-propan-2-ylcyclohexane;propane
CID 143365202
2-bromo-2-(5-methyl-2-propan-2-ylcyclohexyl)acetic acid
CID 57350907

Frequently Asked Questions

What is the IUPAC name of (E,1R)-1-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]hex-2-en-1-ol?
The IUPAC name of (E,1R)-1-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]hex-2-en-1-ol (CID 15984657) is (E,1R)-1-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]hex-2-en-1-ol.
What is the SMILES notation for (E,1R)-1-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]hex-2-en-1-ol?
The canonical SMILES for (E,1R)-1-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]hex-2-en-1-ol is CCC/C=C/[C@@H](O)[C@@H]1C[C@H](C)CC[C@H]1C(C)C.
What is the InChIKey of (E,1R)-1-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]hex-2-en-1-ol?
The InChIKey is KVWMOBQWMIRUMQ-NUFFDZAISA-N. The full InChI is InChI=1S/C16H30O/c1-5-6-7-8-16(17)15-11-13(4)9-10-14(15)12(2)3/h7-8,12-17H,5-6,9-11H2,1-4H3/b8-7+/t13-,14+,15-,16-/m1/s1.
What are the key properties of (E,1R)-1-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]hex-2-en-1-ol?
(E,1R)-1-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]hex-2-en-1-ol has a molecular weight of 238.41 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E,1R)-1-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]hex-2-en-1-ol is sourced from PubChem (CID 15984657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).