(4-propan-2-ylcyclohex-2-en-1-yl)methanol

C10H18O — CID 564463

IUPAC(4-propan-2-ylcyclohex-2-en-1-yl)methanol
SMILESCC(C)C1C=CC(CO)CC1
InChIInChI=1S/C10H18O/c1-8(2)10-5-3-9(7-11)4-6-10/h3,5,8-11H,4,6-7H2,1-2H3
InChIKeyJWRJGMUBDGIGRT-UHFFFAOYSA-N
MW154.25 g/mol
LogP2.22
Rot. Bonds2

About (4-propan-2-ylcyclohex-2-en-1-yl)methanol

(4-propan-2-ylcyclohex-2-en-1-yl)methanol (PubChem CID 564463) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is (4-propan-2-ylcyclohex-2-en-1-yl)methanol.

Molecular Properties

Compound Name(4-propan-2-ylcyclohex-2-en-1-yl)methanol
PubChem CID564463
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name(4-propan-2-ylcyclohex-2-en-1-yl)methanol
SMILESCC(C)C1C=CC(CO)CC1
InChIInChI=1S/C10H18O/c1-8(2)10-5-3-9(7-11)4-6-10/h3,5,8-11H,4,6-7H2,1-2H3
InChIKeyJWRJGMUBDGIGRT-UHFFFAOYSA-N
XLogP2.22
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.22
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 (4-propan-2-ylcyclohex-2-en-1-yl)methanol?
The IUPAC name of (4-propan-2-ylcyclohex-2-en-1-yl)methanol (CID 564463) is (4-propan-2-ylcyclohex-2-en-1-yl)methanol.
What is the SMILES notation for (4-propan-2-ylcyclohex-2-en-1-yl)methanol?
The canonical SMILES for (4-propan-2-ylcyclohex-2-en-1-yl)methanol is CC(C)C1C=CC(CO)CC1.
What is the InChIKey of (4-propan-2-ylcyclohex-2-en-1-yl)methanol?
The InChIKey is JWRJGMUBDGIGRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O/c1-8(2)10-5-3-9(7-11)4-6-10/h3,5,8-11H,4,6-7H2,1-2H3.
What are the key properties of (4-propan-2-ylcyclohex-2-en-1-yl)methanol?
(4-propan-2-ylcyclohex-2-en-1-yl)methanol has a molecular weight of 154.25 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propan-2-ylcyclohex-2-en-1-yl)methanol is sourced from PubChem (CID 564463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).