7-(2-hydroxy-5-methylcyclopentyl)heptane-1,1-diol

C13H26O3 — CID 167275650

IUPAC7-(2-hydroxy-5-methylcyclopentyl)heptane-1,1-diol
SMILESCC1CCC(O)C1CCCCCCC(O)O
InChIInChI=1S/C13H26O3/c1-10-8-9-12(14)11(10)6-4-2-3-5-7-13(15)16/h10-16H,2-9H2,1H3
InChIKeyDJANIFZSVQDXMQ-UHFFFAOYSA-N
MW230.35 g/mol
LogP2.04
Rot. Bonds7

About 7-(2-hydroxy-5-methylcyclopentyl)heptane-1,1-diol

7-(2-hydroxy-5-methylcyclopentyl)heptane-1,1-diol (PubChem CID 167275650) has the molecular formula C13H26O3 and a molecular weight of 230.35 g/mol. Its IUPAC name is 7-(2-hydroxy-5-methylcyclopentyl)heptane-1,1-diol.

Molecular Properties

Compound Name7-(2-hydroxy-5-methylcyclopentyl)heptane-1,1-diol
PubChem CID167275650
Molecular FormulaC13H26O3
Molecular Weight230.35 g/mol
Exact Mass230.19
IUPAC Name7-(2-hydroxy-5-methylcyclopentyl)heptane-1,1-diol
SMILESCC1CCC(O)C1CCCCCCC(O)O
InChIInChI=1S/C13H26O3/c1-10-8-9-12(14)11(10)6-4-2-3-5-7-13(15)16/h10-16H,2-9H2,1H3
InChIKeyDJANIFZSVQDXMQ-UHFFFAOYSA-N
XLogP2.04
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-(2-hydroxy-5-methylcyclopentyl)heptane-1,1-diol?
The IUPAC name of 7-(2-hydroxy-5-methylcyclopentyl)heptane-1,1-diol (CID 167275650) is 7-(2-hydroxy-5-methylcyclopentyl)heptane-1,1-diol.
What is the SMILES notation for 7-(2-hydroxy-5-methylcyclopentyl)heptane-1,1-diol?
The canonical SMILES for 7-(2-hydroxy-5-methylcyclopentyl)heptane-1,1-diol is CC1CCC(O)C1CCCCCCC(O)O.
What is the InChIKey of 7-(2-hydroxy-5-methylcyclopentyl)heptane-1,1-diol?
The InChIKey is DJANIFZSVQDXMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O3/c1-10-8-9-12(14)11(10)6-4-2-3-5-7-13(15)16/h10-16H,2-9H2,1H3.
What are the key properties of 7-(2-hydroxy-5-methylcyclopentyl)heptane-1,1-diol?
7-(2-hydroxy-5-methylcyclopentyl)heptane-1,1-diol has a molecular weight of 230.35 g/mol, XLogP of 2.04, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-hydroxy-5-methylcyclopentyl)heptane-1,1-diol is sourced from PubChem (CID 167275650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).