(2R,3R)-3-ethyl-4-methyl-2-(4-methylcyclohex-3-en-1-yl)pent-4-en-2-ol

C15H26O — CID 15775122

IUPAC(2R,3R)-3-ethyl-4-methyl-2-(4-methylcyclohex-3-en-1-yl)pent-4-en-2-ol
SMILESC=C(C)[C@@H](CC)[C@](C)(O)C1CC=C(C)CC1
InChIInChI=1S/C15H26O/c1-6-14(11(2)3)15(5,16)13-9-7-12(4)8-10-13/h7,13-14,16H,2,6,8-10H2,1,3-5H3/t13?,14-,15-/m1/s1
InChIKeyOCKIAQJOQXJWBV-JVIGXAJISA-N
MW222.37 g/mol
LogP4.09
Rot. Bonds4

About (2R,3R)-3-ethyl-4-methyl-2-(4-methylcyclohex-3-en-1-yl)pent-4-en-2-ol

(2R,3R)-3-ethyl-4-methyl-2-(4-methylcyclohex-3-en-1-yl)pent-4-en-2-ol (PubChem CID 15775122) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is (2R,3R)-3-ethyl-4-methyl-2-(4-methylcyclohex-3-en-1-yl)pent-4-en-2-ol.

Molecular Properties

Compound Name(2R,3R)-3-ethyl-4-methyl-2-(4-methylcyclohex-3-en-1-yl)pent-4-en-2-ol
PubChem CID15775122
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Name(2R,3R)-3-ethyl-4-methyl-2-(4-methylcyclohex-3-en-1-yl)pent-4-en-2-ol
SMILESC=C(C)[C@@H](CC)[C@](C)(O)C1CC=C(C)CC1
InChIInChI=1S/C15H26O/c1-6-14(11(2)3)15(5,16)13-9-7-12(4)8-10-13/h7,13-14,16H,2,6,8-10H2,1,3-5H3/t13?,14-,15-/m1/s1
InChIKeyOCKIAQJOQXJWBV-JVIGXAJISA-N
XLogP4.09
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.37
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(L)-alpha-terpineol
CID 443162
Alpha-Terpineol
CID 17100
Terpinen-4-ol
CID 11230
Bisabolol
CID 1549992
Levomenol
CID 442343
(+)-alpha-Terpineol
CID 442501
p-Menth-3-en-1-ol
CID 11468
Methyl alpha-terpinyl ether
CID 85755
beta-Bisabolol
CID 12300146
alpha,4-Dimethyl-alpha-(4-methyl-3-penten-1-yl)-3-cyclohexene-1-methanol
CID 10586
alpha-Bisabolol, (+)-epi-
CID 1201551
Himachalol
CID 121536

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-ethyl-4-methyl-2-(4-methylcyclohex-3-en-1-yl)pent-4-en-2-ol?
The IUPAC name of (2R,3R)-3-ethyl-4-methyl-2-(4-methylcyclohex-3-en-1-yl)pent-4-en-2-ol (CID 15775122) is (2R,3R)-3-ethyl-4-methyl-2-(4-methylcyclohex-3-en-1-yl)pent-4-en-2-ol.
What is the SMILES notation for (2R,3R)-3-ethyl-4-methyl-2-(4-methylcyclohex-3-en-1-yl)pent-4-en-2-ol?
The canonical SMILES for (2R,3R)-3-ethyl-4-methyl-2-(4-methylcyclohex-3-en-1-yl)pent-4-en-2-ol is C=C(C)[C@@H](CC)[C@](C)(O)C1CC=C(C)CC1.
What is the InChIKey of (2R,3R)-3-ethyl-4-methyl-2-(4-methylcyclohex-3-en-1-yl)pent-4-en-2-ol?
The InChIKey is OCKIAQJOQXJWBV-JVIGXAJISA-N. The full InChI is InChI=1S/C15H26O/c1-6-14(11(2)3)15(5,16)13-9-7-12(4)8-10-13/h7,13-14,16H,2,6,8-10H2,1,3-5H3/t13?,14-,15-/m1/s1.
What are the key properties of (2R,3R)-3-ethyl-4-methyl-2-(4-methylcyclohex-3-en-1-yl)pent-4-en-2-ol?
(2R,3R)-3-ethyl-4-methyl-2-(4-methylcyclohex-3-en-1-yl)pent-4-en-2-ol has a molecular weight of 222.37 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-ethyl-4-methyl-2-(4-methylcyclohex-3-en-1-yl)pent-4-en-2-ol is sourced from PubChem (CID 15775122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).