(2-hexyl-3-methylcycloprop-2-en-1-yl)methanol

C11H20O — CID 102457490

IUPAC(2-hexyl-3-methylcycloprop-2-en-1-yl)methanol
SMILESCCCCCCC1=C(C)C1CO
InChIInChI=1S/C11H20O/c1-3-4-5-6-7-10-9(2)11(10)8-12/h11-12H,3-8H2,1-2H3
InChIKeyBXOFEJSDDZIWMZ-UHFFFAOYSA-N
MW168.28 g/mol
LogP2.90
Rot. Bonds6

About (2-hexyl-3-methylcycloprop-2-en-1-yl)methanol

(2-hexyl-3-methylcycloprop-2-en-1-yl)methanol (PubChem CID 102457490) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is (2-hexyl-3-methylcycloprop-2-en-1-yl)methanol.

Molecular Properties

Compound Name(2-hexyl-3-methylcycloprop-2-en-1-yl)methanol
PubChem CID102457490
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name(2-hexyl-3-methylcycloprop-2-en-1-yl)methanol
SMILESCCCCCCC1=C(C)C1CO
InChIInChI=1S/C11H20O/c1-3-4-5-6-7-10-9(2)11(10)8-12/h11-12H,3-8H2,1-2H3
InChIKeyBXOFEJSDDZIWMZ-UHFFFAOYSA-N
XLogP2.90
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (2-hexyl-3-methylcycloprop-2-en-1-yl)methanol?
The IUPAC name of (2-hexyl-3-methylcycloprop-2-en-1-yl)methanol (CID 102457490) is (2-hexyl-3-methylcycloprop-2-en-1-yl)methanol.
What is the SMILES notation for (2-hexyl-3-methylcycloprop-2-en-1-yl)methanol?
The canonical SMILES for (2-hexyl-3-methylcycloprop-2-en-1-yl)methanol is CCCCCCC1=C(C)C1CO.
What is the InChIKey of (2-hexyl-3-methylcycloprop-2-en-1-yl)methanol?
The InChIKey is BXOFEJSDDZIWMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O/c1-3-4-5-6-7-10-9(2)11(10)8-12/h11-12H,3-8H2,1-2H3.
What are the key properties of (2-hexyl-3-methylcycloprop-2-en-1-yl)methanol?
(2-hexyl-3-methylcycloprop-2-en-1-yl)methanol has a molecular weight of 168.28 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hexyl-3-methylcycloprop-2-en-1-yl)methanol is sourced from PubChem (CID 102457490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).