7,7-dimethyl-6-methylideneoctane-3,5-diol

C11H22O2 — CID 57171849

IUPAC7,7-dimethyl-6-methylideneoctane-3,5-diol
SMILESC=C(C(O)CC(O)CC)C(C)(C)C
InChIInChI=1S/C11H22O2/c1-6-9(12)7-10(13)8(2)11(3,4)5/h9-10,12-13H,2,6-7H2,1,3-5H3
InChIKeyOQGYAPBXMHZNFQ-UHFFFAOYSA-N
MW186.29 g/mol
LogP2.11
Rot. Bonds4

About 7,7-dimethyl-6-methylideneoctane-3,5-diol

7,7-dimethyl-6-methylideneoctane-3,5-diol (PubChem CID 57171849) has the molecular formula C11H22O2 and a molecular weight of 186.29 g/mol. Its IUPAC name is 7,7-dimethyl-6-methylideneoctane-3,5-diol.

Molecular Properties

Compound Name7,7-dimethyl-6-methylideneoctane-3,5-diol
PubChem CID57171849
Molecular FormulaC11H22O2
Molecular Weight186.29 g/mol
Exact Mass186.16
IUPAC Name7,7-dimethyl-6-methylideneoctane-3,5-diol
SMILESC=C(C(O)CC(O)CC)C(C)(C)C
InChIInChI=1S/C11H22O2/c1-6-9(12)7-10(13)8(2)11(3,4)5/h9-10,12-13H,2,6-7H2,1,3-5H3
InChIKeyOQGYAPBXMHZNFQ-UHFFFAOYSA-N
XLogP2.11
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.29
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 7,7-dimethyl-6-methylideneoctane-3,5-diol 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 7,7-dimethyl-6-methylideneoctane-3,5-diol?
The IUPAC name of 7,7-dimethyl-6-methylideneoctane-3,5-diol (CID 57171849) is 7,7-dimethyl-6-methylideneoctane-3,5-diol.
What is the SMILES notation for 7,7-dimethyl-6-methylideneoctane-3,5-diol?
The canonical SMILES for 7,7-dimethyl-6-methylideneoctane-3,5-diol is C=C(C(O)CC(O)CC)C(C)(C)C.
What is the InChIKey of 7,7-dimethyl-6-methylideneoctane-3,5-diol?
The InChIKey is OQGYAPBXMHZNFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2/c1-6-9(12)7-10(13)8(2)11(3,4)5/h9-10,12-13H,2,6-7H2,1,3-5H3.
What are the key properties of 7,7-dimethyl-6-methylideneoctane-3,5-diol?
7,7-dimethyl-6-methylideneoctane-3,5-diol has a molecular weight of 186.29 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-6-methylideneoctane-3,5-diol is sourced from PubChem (CID 57171849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).