7-hydroxy-3,7-dimethyl-2-methylideneoctanal

C11H20O2 — CID 86632275

IUPAC7-hydroxy-3,7-dimethyl-2-methylideneoctanal
SMILESC=C(C=O)C(C)CCCC(C)(C)O
InChIInChI=1S/C11H20O2/c1-9(10(2)8-12)6-5-7-11(3,4)13/h8-9,13H,2,5-7H2,1,3-4H3
InChIKeyQQNHHPGOSNXDHO-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.32
Rot. Bonds6

About 7-hydroxy-3,7-dimethyl-2-methylideneoctanal

7-hydroxy-3,7-dimethyl-2-methylideneoctanal (PubChem CID 86632275) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 7-hydroxy-3,7-dimethyl-2-methylideneoctanal.

Molecular Properties

Compound Name7-hydroxy-3,7-dimethyl-2-methylideneoctanal
PubChem CID86632275
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name7-hydroxy-3,7-dimethyl-2-methylideneoctanal
SMILESC=C(C=O)C(C)CCCC(C)(C)O
InChIInChI=1S/C11H20O2/c1-9(10(2)8-12)6-5-7-11(3,4)13/h8-9,13H,2,5-7H2,1,3-4H3
InChIKeyQQNHHPGOSNXDHO-UHFFFAOYSA-N
XLogP2.32
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 7-hydroxy-3,7-dimethyl-2-methylideneoctanal with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-3,7-dimethyl-2-methylideneoctanal?
The IUPAC name of 7-hydroxy-3,7-dimethyl-2-methylideneoctanal (CID 86632275) is 7-hydroxy-3,7-dimethyl-2-methylideneoctanal.
What is the SMILES notation for 7-hydroxy-3,7-dimethyl-2-methylideneoctanal?
The canonical SMILES for 7-hydroxy-3,7-dimethyl-2-methylideneoctanal is C=C(C=O)C(C)CCCC(C)(C)O.
What is the InChIKey of 7-hydroxy-3,7-dimethyl-2-methylideneoctanal?
The InChIKey is QQNHHPGOSNXDHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-9(10(2)8-12)6-5-7-11(3,4)13/h8-9,13H,2,5-7H2,1,3-4H3.
What are the key properties of 7-hydroxy-3,7-dimethyl-2-methylideneoctanal?
7-hydroxy-3,7-dimethyl-2-methylideneoctanal has a molecular weight of 184.28 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-3,7-dimethyl-2-methylideneoctanal is sourced from PubChem (CID 86632275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).