(2,6,6-trimethyl-1-propylcyclohex-2-en-1-yl)methanol

C13H24O — CID 57314612

IUPAC(2,6,6-trimethyl-1-propylcyclohex-2-en-1-yl)methanol
SMILESCCCC1(CO)C(C)=CCCC1(C)C
InChIInChI=1S/C13H24O/c1-5-8-13(10-14)11(2)7-6-9-12(13,3)4/h7,14H,5-6,8-10H2,1-4H3
InChIKeyDGKNWVPDSHRQBA-UHFFFAOYSA-N
MW196.33 g/mol
LogP3.53
Rot. Bonds3

About (2,6,6-trimethyl-1-propylcyclohex-2-en-1-yl)methanol

(2,6,6-trimethyl-1-propylcyclohex-2-en-1-yl)methanol (PubChem CID 57314612) has the molecular formula C13H24O and a molecular weight of 196.33 g/mol. Its IUPAC name is (2,6,6-trimethyl-1-propylcyclohex-2-en-1-yl)methanol.

Molecular Properties

Compound Name(2,6,6-trimethyl-1-propylcyclohex-2-en-1-yl)methanol
PubChem CID57314612
Molecular FormulaC13H24O
Molecular Weight196.33 g/mol
Exact Mass196.18
IUPAC Name(2,6,6-trimethyl-1-propylcyclohex-2-en-1-yl)methanol
SMILESCCCC1(CO)C(C)=CCCC1(C)C
InChIInChI=1S/C13H24O/c1-5-8-13(10-14)11(2)7-6-9-12(13,3)4/h7,14H,5-6,8-10H2,1-4H3
InChIKeyDGKNWVPDSHRQBA-UHFFFAOYSA-N
XLogP3.53
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.33
LogP ≤ 53.53
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 (2,6,6-trimethyl-1-propylcyclohex-2-en-1-yl)methanol?
The IUPAC name of (2,6,6-trimethyl-1-propylcyclohex-2-en-1-yl)methanol (CID 57314612) is (2,6,6-trimethyl-1-propylcyclohex-2-en-1-yl)methanol.
What is the SMILES notation for (2,6,6-trimethyl-1-propylcyclohex-2-en-1-yl)methanol?
The canonical SMILES for (2,6,6-trimethyl-1-propylcyclohex-2-en-1-yl)methanol is CCCC1(CO)C(C)=CCCC1(C)C.
What is the InChIKey of (2,6,6-trimethyl-1-propylcyclohex-2-en-1-yl)methanol?
The InChIKey is DGKNWVPDSHRQBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O/c1-5-8-13(10-14)11(2)7-6-9-12(13,3)4/h7,14H,5-6,8-10H2,1-4H3.
What are the key properties of (2,6,6-trimethyl-1-propylcyclohex-2-en-1-yl)methanol?
(2,6,6-trimethyl-1-propylcyclohex-2-en-1-yl)methanol has a molecular weight of 196.33 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6,6-trimethyl-1-propylcyclohex-2-en-1-yl)methanol is sourced from PubChem (CID 57314612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).