4-ethoxy-5,6-dimethyl-3-(3-methylpentyl)cyclohex-2-en-1-ol

C16H30O2 — CID 59229163

IUPAC4-ethoxy-5,6-dimethyl-3-(3-methylpentyl)cyclohex-2-en-1-ol
SMILESCCOC1C(CCC(C)CC)=CC(O)C(C)C1C
InChIInChI=1S/C16H30O2/c1-6-11(3)8-9-14-10-15(17)12(4)13(5)16(14)18-7-2/h10-13,15-17H,6-9H2,1-5H3
InChIKeyVCJPKFLGBOFQPK-UHFFFAOYSA-N
MW254.41 g/mol
LogP3.79
Rot. Bonds6

About 4-ethoxy-5,6-dimethyl-3-(3-methylpentyl)cyclohex-2-en-1-ol

4-ethoxy-5,6-dimethyl-3-(3-methylpentyl)cyclohex-2-en-1-ol (PubChem CID 59229163) has the molecular formula C16H30O2 and a molecular weight of 254.41 g/mol. Its IUPAC name is 4-ethoxy-5,6-dimethyl-3-(3-methylpentyl)cyclohex-2-en-1-ol.

Molecular Properties

Compound Name4-ethoxy-5,6-dimethyl-3-(3-methylpentyl)cyclohex-2-en-1-ol
PubChem CID59229163
Molecular FormulaC16H30O2
Molecular Weight254.41 g/mol
Exact Mass254.22
IUPAC Name4-ethoxy-5,6-dimethyl-3-(3-methylpentyl)cyclohex-2-en-1-ol
SMILESCCOC1C(CCC(C)CC)=CC(O)C(C)C1C
InChIInChI=1S/C16H30O2/c1-6-11(3)8-9-14-10-15(17)12(4)13(5)16(14)18-7-2/h10-13,15-17H,6-9H2,1-5H3
InChIKeyVCJPKFLGBOFQPK-UHFFFAOYSA-N
XLogP3.79
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.41
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Sobrerol
CID 91463
trans-Sobrerol
CID 854498
2-Cyclohexen-1-ol, 2,6-dimethyl-4-(2,2,3-trimethyl-3-cyclopenten-1-yl)-
CID 90092947
4-(2-Hydroxy-2-propyl)cyclohexene-1-methanol
CID 110662
2,10-Bisaboladiene-1,4-diol
CID 131752167
(-)-Oleuropeyl alcohol
CID 44566704
(1S-trans)-5-Hydroxy-alpha,alpha,4-trimethylcyclohex-3-ene-1-methanol
CID 854499
p-Menth-1-ene-3,6-diol
CID 10374851
5-Isopropyl-2-methylcyclohex-2-ene-1,4-diol
CID 13919076
Sobrepin
CID 36089
(1R,2E,6S,8S,10S,11E)-3,8,12,16-tetramethyl-7,18-dioxatricyclo[13.3.0.06,8]octadeca-2,11,15-trien-10-ol
CID 11844358
(1R,5R)-5-(2-hydroxypropan-2-yl)-2-methylcyclohex-2-en-1-ol
CID 854497

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-5,6-dimethyl-3-(3-methylpentyl)cyclohex-2-en-1-ol?
The IUPAC name of 4-ethoxy-5,6-dimethyl-3-(3-methylpentyl)cyclohex-2-en-1-ol (CID 59229163) is 4-ethoxy-5,6-dimethyl-3-(3-methylpentyl)cyclohex-2-en-1-ol.
What is the SMILES notation for 4-ethoxy-5,6-dimethyl-3-(3-methylpentyl)cyclohex-2-en-1-ol?
The canonical SMILES for 4-ethoxy-5,6-dimethyl-3-(3-methylpentyl)cyclohex-2-en-1-ol is CCOC1C(CCC(C)CC)=CC(O)C(C)C1C.
What is the InChIKey of 4-ethoxy-5,6-dimethyl-3-(3-methylpentyl)cyclohex-2-en-1-ol?
The InChIKey is VCJPKFLGBOFQPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O2/c1-6-11(3)8-9-14-10-15(17)12(4)13(5)16(14)18-7-2/h10-13,15-17H,6-9H2,1-5H3.
What are the key properties of 4-ethoxy-5,6-dimethyl-3-(3-methylpentyl)cyclohex-2-en-1-ol?
4-ethoxy-5,6-dimethyl-3-(3-methylpentyl)cyclohex-2-en-1-ol has a molecular weight of 254.41 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-5,6-dimethyl-3-(3-methylpentyl)cyclohex-2-en-1-ol is sourced from PubChem (CID 59229163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).