1-(3-methoxy-3-methylbutyl)cyclohex-2-en-1-ol

C12H22O2 — CID 103035272

IUPAC1-(3-methoxy-3-methylbutyl)cyclohex-2-en-1-ol
SMILESCOC(C)(C)CCC1(O)C=CCCC1
InChIInChI=1S/C12H22O2/c1-11(2,14-3)9-10-12(13)7-5-4-6-8-12/h5,7,13H,4,6,8-10H2,1-3H3
InChIKeyJLPJNJWGTJZRJW-UHFFFAOYSA-N
MW198.31 g/mol
LogP2.66
Rot. Bonds4

About 1-(3-methoxy-3-methylbutyl)cyclohex-2-en-1-ol

1-(3-methoxy-3-methylbutyl)cyclohex-2-en-1-ol (PubChem CID 103035272) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is 1-(3-methoxy-3-methylbutyl)cyclohex-2-en-1-ol.

Molecular Properties

Compound Name1-(3-methoxy-3-methylbutyl)cyclohex-2-en-1-ol
PubChem CID103035272
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name1-(3-methoxy-3-methylbutyl)cyclohex-2-en-1-ol
SMILESCOC(C)(C)CCC1(O)C=CCCC1
InChIInChI=1S/C12H22O2/c1-11(2,14-3)9-10-12(13)7-5-4-6-8-12/h5,7,13H,4,6,8-10H2,1-3H3
InChIKeyJLPJNJWGTJZRJW-UHFFFAOYSA-N
XLogP2.66
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 1-(3-methoxy-3-methylbutyl)cyclohex-2-en-1-ol?
The IUPAC name of 1-(3-methoxy-3-methylbutyl)cyclohex-2-en-1-ol (CID 103035272) is 1-(3-methoxy-3-methylbutyl)cyclohex-2-en-1-ol.
What is the SMILES notation for 1-(3-methoxy-3-methylbutyl)cyclohex-2-en-1-ol?
The canonical SMILES for 1-(3-methoxy-3-methylbutyl)cyclohex-2-en-1-ol is COC(C)(C)CCC1(O)C=CCCC1.
What is the InChIKey of 1-(3-methoxy-3-methylbutyl)cyclohex-2-en-1-ol?
The InChIKey is JLPJNJWGTJZRJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2/c1-11(2,14-3)9-10-12(13)7-5-4-6-8-12/h5,7,13H,4,6,8-10H2,1-3H3.
What are the key properties of 1-(3-methoxy-3-methylbutyl)cyclohex-2-en-1-ol?
1-(3-methoxy-3-methylbutyl)cyclohex-2-en-1-ol has a molecular weight of 198.31 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxy-3-methylbutyl)cyclohex-2-en-1-ol is sourced from PubChem (CID 103035272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).