(3,4-dimethyl-1-propylcyclohex-3-en-1-yl)methanol

C12H22O — CID 118389084

IUPAC(3,4-dimethyl-1-propylcyclohex-3-en-1-yl)methanol
SMILESCCCC1(CO)CCC(C)=C(C)C1
InChIInChI=1S/C12H22O/c1-4-6-12(9-13)7-5-10(2)11(3)8-12/h13H,4-9H2,1-3H3
InChIKeySCDVRSHSWRRMMZ-UHFFFAOYSA-N
MW182.31 g/mol
LogP3.29
Rot. Bonds3

About (3,4-dimethyl-1-propylcyclohex-3-en-1-yl)methanol

(3,4-dimethyl-1-propylcyclohex-3-en-1-yl)methanol (PubChem CID 118389084) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is (3,4-dimethyl-1-propylcyclohex-3-en-1-yl)methanol.

Molecular Properties

Compound Name(3,4-dimethyl-1-propylcyclohex-3-en-1-yl)methanol
PubChem CID118389084
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Name(3,4-dimethyl-1-propylcyclohex-3-en-1-yl)methanol
SMILESCCCC1(CO)CCC(C)=C(C)C1
InChIInChI=1S/C12H22O/c1-4-6-12(9-13)7-5-10(2)11(3)8-12/h13H,4-9H2,1-3H3
InChIKeySCDVRSHSWRRMMZ-UHFFFAOYSA-N
XLogP3.29
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 53.29
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 (3,4-dimethyl-1-propylcyclohex-3-en-1-yl)methanol?
The IUPAC name of (3,4-dimethyl-1-propylcyclohex-3-en-1-yl)methanol (CID 118389084) is (3,4-dimethyl-1-propylcyclohex-3-en-1-yl)methanol.
What is the SMILES notation for (3,4-dimethyl-1-propylcyclohex-3-en-1-yl)methanol?
The canonical SMILES for (3,4-dimethyl-1-propylcyclohex-3-en-1-yl)methanol is CCCC1(CO)CCC(C)=C(C)C1.
What is the InChIKey of (3,4-dimethyl-1-propylcyclohex-3-en-1-yl)methanol?
The InChIKey is SCDVRSHSWRRMMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O/c1-4-6-12(9-13)7-5-10(2)11(3)8-12/h13H,4-9H2,1-3H3.
What are the key properties of (3,4-dimethyl-1-propylcyclohex-3-en-1-yl)methanol?
(3,4-dimethyl-1-propylcyclohex-3-en-1-yl)methanol has a molecular weight of 182.31 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethyl-1-propylcyclohex-3-en-1-yl)methanol is sourced from PubChem (CID 118389084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).