(1R,2S)-1-cyclohex-3-en-1-yl-2-ethenyl-4-methylpentan-1-ol

C14H24O — CID 154718232

IUPAC(1R,2S)-1-cyclohex-3-en-1-yl-2-ethenyl-4-methylpentan-1-ol
SMILESC=C[C@H](CC(C)C)[C@H](O)C1CC=CCC1
InChIInChI=1S/C14H24O/c1-4-12(10-11(2)3)14(15)13-8-6-5-7-9-13/h4-6,11-15H,1,7-10H2,2-3H3/t12-,13?,14+/m1/s1
InChIKeyGQBNZXKQTBQSGU-YIOYIWSBSA-N
MW208.34 g/mol
LogP3.55
Rot. Bonds5

About (1R,2S)-1-cyclohex-3-en-1-yl-2-ethenyl-4-methylpentan-1-ol

(1R,2S)-1-cyclohex-3-en-1-yl-2-ethenyl-4-methylpentan-1-ol (PubChem CID 154718232) has the molecular formula C14H24O and a molecular weight of 208.34 g/mol. Its IUPAC name is (1R,2S)-1-cyclohex-3-en-1-yl-2-ethenyl-4-methylpentan-1-ol.

Molecular Properties

Compound Name(1R,2S)-1-cyclohex-3-en-1-yl-2-ethenyl-4-methylpentan-1-ol
PubChem CID154718232
Molecular FormulaC14H24O
Molecular Weight208.34 g/mol
Exact Mass208.18
IUPAC Name(1R,2S)-1-cyclohex-3-en-1-yl-2-ethenyl-4-methylpentan-1-ol
SMILESC=C[C@H](CC(C)C)[C@H](O)C1CC=CCC1
InChIInChI=1S/C14H24O/c1-4-12(10-11(2)3)14(15)13-8-6-5-7-9-13/h4-6,11-15H,1,7-10H2,2-3H3/t12-,13?,14+/m1/s1
InChIKeyGQBNZXKQTBQSGU-YIOYIWSBSA-N
XLogP3.55
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.34
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1R,2S)-1-cyclohex-3-en-1-yl-2-ethenyl-4-methylpentan-1-ol?
The IUPAC name of (1R,2S)-1-cyclohex-3-en-1-yl-2-ethenyl-4-methylpentan-1-ol (CID 154718232) is (1R,2S)-1-cyclohex-3-en-1-yl-2-ethenyl-4-methylpentan-1-ol.
What is the SMILES notation for (1R,2S)-1-cyclohex-3-en-1-yl-2-ethenyl-4-methylpentan-1-ol?
The canonical SMILES for (1R,2S)-1-cyclohex-3-en-1-yl-2-ethenyl-4-methylpentan-1-ol is C=C[C@H](CC(C)C)[C@H](O)C1CC=CCC1.
What is the InChIKey of (1R,2S)-1-cyclohex-3-en-1-yl-2-ethenyl-4-methylpentan-1-ol?
The InChIKey is GQBNZXKQTBQSGU-YIOYIWSBSA-N. The full InChI is InChI=1S/C14H24O/c1-4-12(10-11(2)3)14(15)13-8-6-5-7-9-13/h4-6,11-15H,1,7-10H2,2-3H3/t12-,13?,14+/m1/s1.
What are the key properties of (1R,2S)-1-cyclohex-3-en-1-yl-2-ethenyl-4-methylpentan-1-ol?
(1R,2S)-1-cyclohex-3-en-1-yl-2-ethenyl-4-methylpentan-1-ol has a molecular weight of 208.34 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-1-cyclohex-3-en-1-yl-2-ethenyl-4-methylpentan-1-ol is sourced from PubChem (CID 154718232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).