1-cyclopropylheptane-3,4-diol

C10H20O2 — CID 103455036

IUPAC1-cyclopropylheptane-3,4-diol
SMILESCCCC(O)C(O)CCC1CC1
InChIInChI=1S/C10H20O2/c1-2-3-9(11)10(12)7-6-8-4-5-8/h8-12H,2-7H2,1H3
InChIKeyXFUIFVFBBXIJMY-UHFFFAOYSA-N
MW172.27 g/mol
LogP1.70
Rot. Bonds6

About 1-cyclopropylheptane-3,4-diol

1-cyclopropylheptane-3,4-diol (PubChem CID 103455036) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 1-cyclopropylheptane-3,4-diol.

Molecular Properties

Compound Name1-cyclopropylheptane-3,4-diol
PubChem CID103455036
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name1-cyclopropylheptane-3,4-diol
SMILESCCCC(O)C(O)CCC1CC1
InChIInChI=1S/C10H20O2/c1-2-3-9(11)10(12)7-6-8-4-5-8/h8-12H,2-7H2,1H3
InChIKeyXFUIFVFBBXIJMY-UHFFFAOYSA-N
XLogP1.70
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6,10-Dimethyl-2-undecanol
CID 3016008
1,6-Octanediol, 3,7-dimethyl-
CID 103732
6,8-Dimethylnonan-2-ol
CID 172501
3-Nonanol, 2-methyl-
CID 141300
7-Methyl-2-octanol
CID 6427125
1-Cyclopropylhexan-1-ol
CID 12422982
2-Methyl-3-undecanol
CID 521937
11-Methyl-1,2-heptadecanediol
CID 42607318
13-Methylnonadecane-1,2-diol
CID 42607320
13-Methyl-1,2-eicosanediol
CID 42607321
15-Methyl-1,2-eicosanediol
CID 42607322
15-Methylheneicosane-1,2-diol
CID 42607323

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropylheptane-3,4-diol?
The IUPAC name of 1-cyclopropylheptane-3,4-diol (CID 103455036) is 1-cyclopropylheptane-3,4-diol.
What is the SMILES notation for 1-cyclopropylheptane-3,4-diol?
The canonical SMILES for 1-cyclopropylheptane-3,4-diol is CCCC(O)C(O)CCC1CC1.
What is the InChIKey of 1-cyclopropylheptane-3,4-diol?
The InChIKey is XFUIFVFBBXIJMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-2-3-9(11)10(12)7-6-8-4-5-8/h8-12H,2-7H2,1H3.
What are the key properties of 1-cyclopropylheptane-3,4-diol?
1-cyclopropylheptane-3,4-diol has a molecular weight of 172.27 g/mol, XLogP of 1.70, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropylheptane-3,4-diol is sourced from PubChem (CID 103455036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).