(3R,4R)-2,2-dimethyl-5-methylideneheptane-3,4-diol

C10H20O2 — CID 102351582

IUPAC(3R,4R)-2,2-dimethyl-5-methylideneheptane-3,4-diol
SMILESC=C(CC)[C@@H](O)[C@H](O)C(C)(C)C
InChIInChI=1S/C10H20O2/c1-6-7(2)8(11)9(12)10(3,4)5/h8-9,11-12H,2,6H2,1,3-5H3/t8-,9+/m1/s1
InChIKeyIPPCUAAOZCKCOK-BDAKNGLRSA-N
MW172.27 g/mol
LogP1.72
Rot. Bonds3

About (3R,4R)-2,2-dimethyl-5-methylideneheptane-3,4-diol

(3R,4R)-2,2-dimethyl-5-methylideneheptane-3,4-diol (PubChem CID 102351582) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is (3R,4R)-2,2-dimethyl-5-methylideneheptane-3,4-diol.

Molecular Properties

Compound Name(3R,4R)-2,2-dimethyl-5-methylideneheptane-3,4-diol
PubChem CID102351582
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name(3R,4R)-2,2-dimethyl-5-methylideneheptane-3,4-diol
SMILESC=C(CC)[C@@H](O)[C@H](O)C(C)(C)C
InChIInChI=1S/C10H20O2/c1-6-7(2)8(11)9(12)10(3,4)5/h8-9,11-12H,2,6H2,1,3-5H3/t8-,9+/m1/s1
InChIKeyIPPCUAAOZCKCOK-BDAKNGLRSA-N
XLogP1.72
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3R,4R)-2,2-dimethyl-5-methylideneheptane-3,4-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 (3R,4R)-2,2-dimethyl-5-methylideneheptane-3,4-diol?
The IUPAC name of (3R,4R)-2,2-dimethyl-5-methylideneheptane-3,4-diol (CID 102351582) is (3R,4R)-2,2-dimethyl-5-methylideneheptane-3,4-diol.
What is the SMILES notation for (3R,4R)-2,2-dimethyl-5-methylideneheptane-3,4-diol?
The canonical SMILES for (3R,4R)-2,2-dimethyl-5-methylideneheptane-3,4-diol is C=C(CC)[C@@H](O)[C@H](O)C(C)(C)C.
What is the InChIKey of (3R,4R)-2,2-dimethyl-5-methylideneheptane-3,4-diol?
The InChIKey is IPPCUAAOZCKCOK-BDAKNGLRSA-N. The full InChI is InChI=1S/C10H20O2/c1-6-7(2)8(11)9(12)10(3,4)5/h8-9,11-12H,2,6H2,1,3-5H3/t8-,9+/m1/s1.
What are the key properties of (3R,4R)-2,2-dimethyl-5-methylideneheptane-3,4-diol?
(3R,4R)-2,2-dimethyl-5-methylideneheptane-3,4-diol has a molecular weight of 172.27 g/mol, XLogP of 1.72, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-2,2-dimethyl-5-methylideneheptane-3,4-diol is sourced from PubChem (CID 102351582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).