1-cyclopropylundecan-3-ol

C14H28O — CID 115810831

IUPAC1-cyclopropylundecan-3-ol
SMILESCCCCCCCCC(O)CCC1CC1
InChIInChI=1S/C14H28O/c1-2-3-4-5-6-7-8-14(15)12-11-13-9-10-13/h13-15H,2-12H2,1H3
InChIKeyGCXMPYAGEAFTPO-UHFFFAOYSA-N
MW212.38 g/mol
LogP4.29
Rot. Bonds10

About 1-cyclopropylundecan-3-ol

1-cyclopropylundecan-3-ol (PubChem CID 115810831) has the molecular formula C14H28O and a molecular weight of 212.38 g/mol. Its IUPAC name is 1-cyclopropylundecan-3-ol.

Molecular Properties

Compound Name1-cyclopropylundecan-3-ol
PubChem CID115810831
Molecular FormulaC14H28O
Molecular Weight212.38 g/mol
Exact Mass212.21
IUPAC Name1-cyclopropylundecan-3-ol
SMILESCCCCCCCCC(O)CCC1CC1
InChIInChI=1S/C14H28O/c1-2-3-4-5-6-7-8-14(15)12-11-13-9-10-13/h13-15H,2-12H2,1H3
InChIKeyGCXMPYAGEAFTPO-UHFFFAOYSA-N
XLogP4.29
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-cyclopentyldecan-3-ol
CID 115783211
octadecane-8,11-diol
CID 101412726
1-(oxan-4-yl)undecan-5-ol
CID 114191725
nonacosane-7,20-diol
CID 174949468
(7R)-hexatriacontan-7-ol
CID 88529159
icosan-9-ol
CID 11983377
tetracosan-6-ol
CID 154265400
tetratetracontan-22-ol
CID 91434437
icosan-6-ol
CID 19931277
hexatriacontan-17-ol
CID 3020851
octacosan-10-ol
CID 22568705
icosane-5,10-diol
CID 170722579

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropylundecan-3-ol?
The IUPAC name of 1-cyclopropylundecan-3-ol (CID 115810831) is 1-cyclopropylundecan-3-ol.
What is the SMILES notation for 1-cyclopropylundecan-3-ol?
The canonical SMILES for 1-cyclopropylundecan-3-ol is CCCCCCCCC(O)CCC1CC1.
What is the InChIKey of 1-cyclopropylundecan-3-ol?
The InChIKey is GCXMPYAGEAFTPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O/c1-2-3-4-5-6-7-8-14(15)12-11-13-9-10-13/h13-15H,2-12H2,1H3.
What are the key properties of 1-cyclopropylundecan-3-ol?
1-cyclopropylundecan-3-ol has a molecular weight of 212.38 g/mol, XLogP of 4.29, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropylundecan-3-ol is sourced from PubChem (CID 115810831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).