2-(4-hydroxy-4-methylpentyl)-2-methylcyclopropane-1-carbaldehyde

C11H20O2 — CID 24878069

IUPAC2-(4-hydroxy-4-methylpentyl)-2-methylcyclopropane-1-carbaldehyde
SMILESCC(C)(O)CCCC1(C)CC1C=O
InChIInChI=1S/C11H20O2/c1-10(2,13)5-4-6-11(3)7-9(11)8-12/h8-9,13H,4-7H2,1-3H3
InChIKeyLVHXNHBYNGICQP-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.15
Rot. Bonds5

About 2-(4-hydroxy-4-methylpentyl)-2-methylcyclopropane-1-carbaldehyde

2-(4-hydroxy-4-methylpentyl)-2-methylcyclopropane-1-carbaldehyde (PubChem CID 24878069) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 2-(4-hydroxy-4-methylpentyl)-2-methylcyclopropane-1-carbaldehyde.

Molecular Properties

Compound Name2-(4-hydroxy-4-methylpentyl)-2-methylcyclopropane-1-carbaldehyde
PubChem CID24878069
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name2-(4-hydroxy-4-methylpentyl)-2-methylcyclopropane-1-carbaldehyde
SMILESCC(C)(O)CCCC1(C)CC1C=O
InChIInChI=1S/C11H20O2/c1-10(2,13)5-4-6-11(3)7-9(11)8-12/h8-9,13H,4-7H2,1-3H3
InChIKeyLVHXNHBYNGICQP-UHFFFAOYSA-N
XLogP2.15
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxy-4-methylpentyl)-2-methylcyclopropane-1-carbaldehyde?
The IUPAC name of 2-(4-hydroxy-4-methylpentyl)-2-methylcyclopropane-1-carbaldehyde (CID 24878069) is 2-(4-hydroxy-4-methylpentyl)-2-methylcyclopropane-1-carbaldehyde.
What is the SMILES notation for 2-(4-hydroxy-4-methylpentyl)-2-methylcyclopropane-1-carbaldehyde?
The canonical SMILES for 2-(4-hydroxy-4-methylpentyl)-2-methylcyclopropane-1-carbaldehyde is CC(C)(O)CCCC1(C)CC1C=O.
What is the InChIKey of 2-(4-hydroxy-4-methylpentyl)-2-methylcyclopropane-1-carbaldehyde?
The InChIKey is LVHXNHBYNGICQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-10(2,13)5-4-6-11(3)7-9(11)8-12/h8-9,13H,4-7H2,1-3H3.
What are the key properties of 2-(4-hydroxy-4-methylpentyl)-2-methylcyclopropane-1-carbaldehyde?
2-(4-hydroxy-4-methylpentyl)-2-methylcyclopropane-1-carbaldehyde has a molecular weight of 184.28 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxy-4-methylpentyl)-2-methylcyclopropane-1-carbaldehyde is sourced from PubChem (CID 24878069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).