1-(3-cyclopropyl-1-hydroxypropyl)cycloheptan-1-ol

C13H24O2 — CID 103452170

IUPAC1-(3-cyclopropyl-1-hydroxypropyl)cycloheptan-1-ol
SMILESOC(CCC1CC1)C1(O)CCCCCC1
InChIInChI=1S/C13H24O2/c14-12(8-7-11-5-6-11)13(15)9-3-1-2-4-10-13/h11-12,14-15H,1-10H2
InChIKeyXQZPPNCLEUXNSQ-UHFFFAOYSA-N
MW212.33 g/mol
LogP2.62
Rot. Bonds4

About 1-(3-cyclopropyl-1-hydroxypropyl)cycloheptan-1-ol

1-(3-cyclopropyl-1-hydroxypropyl)cycloheptan-1-ol (PubChem CID 103452170) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is 1-(3-cyclopropyl-1-hydroxypropyl)cycloheptan-1-ol.

Molecular Properties

Compound Name1-(3-cyclopropyl-1-hydroxypropyl)cycloheptan-1-ol
PubChem CID103452170
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name1-(3-cyclopropyl-1-hydroxypropyl)cycloheptan-1-ol
SMILESOC(CCC1CC1)C1(O)CCCCCC1
InChIInChI=1S/C13H24O2/c14-12(8-7-11-5-6-11)13(15)9-3-1-2-4-10-13/h11-12,14-15H,1-10H2
InChIKeyXQZPPNCLEUXNSQ-UHFFFAOYSA-N
XLogP2.62
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopropyl-1-hydroxypropyl)cycloheptan-1-ol?
The IUPAC name of 1-(3-cyclopropyl-1-hydroxypropyl)cycloheptan-1-ol (CID 103452170) is 1-(3-cyclopropyl-1-hydroxypropyl)cycloheptan-1-ol.
What is the SMILES notation for 1-(3-cyclopropyl-1-hydroxypropyl)cycloheptan-1-ol?
The canonical SMILES for 1-(3-cyclopropyl-1-hydroxypropyl)cycloheptan-1-ol is OC(CCC1CC1)C1(O)CCCCCC1.
What is the InChIKey of 1-(3-cyclopropyl-1-hydroxypropyl)cycloheptan-1-ol?
The InChIKey is XQZPPNCLEUXNSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2/c14-12(8-7-11-5-6-11)13(15)9-3-1-2-4-10-13/h11-12,14-15H,1-10H2.
What are the key properties of 1-(3-cyclopropyl-1-hydroxypropyl)cycloheptan-1-ol?
1-(3-cyclopropyl-1-hydroxypropyl)cycloheptan-1-ol has a molecular weight of 212.33 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopropyl-1-hydroxypropyl)cycloheptan-1-ol is sourced from PubChem (CID 103452170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).