2-pentan-2-ylnonan-1-ol

C14H30O — CID 23316007

IUPAC2-pentan-2-ylnonan-1-ol
SMILESCCCCCCCC(CO)C(C)CCC
InChIInChI=1S/C14H30O/c1-4-6-7-8-9-11-14(12-15)13(3)10-5-2/h13-15H,4-12H2,1-3H3
InChIKeyOGQNXGLKPLFHCQ-UHFFFAOYSA-N
MW214.39 g/mol
LogP4.39
Rot. Bonds10

About 2-pentan-2-ylnonan-1-ol

2-pentan-2-ylnonan-1-ol (PubChem CID 23316007) has the molecular formula C14H30O and a molecular weight of 214.39 g/mol. Its IUPAC name is 2-pentan-2-ylnonan-1-ol.

Molecular Properties

Compound Name2-pentan-2-ylnonan-1-ol
PubChem CID23316007
Molecular FormulaC14H30O
Molecular Weight214.39 g/mol
Exact Mass214.23
IUPAC Name2-pentan-2-ylnonan-1-ol
SMILESCCCCCCCC(CO)C(C)CCC
InChIInChI=1S/C14H30O/c1-4-6-7-8-9-11-14(12-15)13(3)10-5-2/h13-15H,4-12H2,1-3H3
InChIKeyOGQNXGLKPLFHCQ-UHFFFAOYSA-N
XLogP4.39
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.39
LogP ≤ 54.39
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

2-butan-2-ylheptan-1-ol
CID 86041006
(2S)-2-propan-2-ylheptan-1-ol
CID 122598639
8-methyl-7-pentylhexadecane
CID 123739023
9-butyl-10-methyloctadecane
CID 174796911
11-butyl-12-methyldocosane
CID 151619606
4,5-dimethylnonadecane
CID 123321090
2-heptacosan-14-ylbutane-1,4-diol
CID 89333214
8-ethyl-7-methylhexadecane
CID 56974440
(2S,3R)-3-propylnonane-1,2-diol
CID 132503720
3-propylnonane-1,2-diol
CID 142914720
2-butyl-3-propylbutane-1,4-diol
CID 87266771
4,5-dipropyltetradecane
CID 21490606

Frequently Asked Questions

What is the IUPAC name of 2-pentan-2-ylnonan-1-ol?
The IUPAC name of 2-pentan-2-ylnonan-1-ol (CID 23316007) is 2-pentan-2-ylnonan-1-ol.
What is the SMILES notation for 2-pentan-2-ylnonan-1-ol?
The canonical SMILES for 2-pentan-2-ylnonan-1-ol is CCCCCCCC(CO)C(C)CCC.
What is the InChIKey of 2-pentan-2-ylnonan-1-ol?
The InChIKey is OGQNXGLKPLFHCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O/c1-4-6-7-8-9-11-14(12-15)13(3)10-5-2/h13-15H,4-12H2,1-3H3.
What are the key properties of 2-pentan-2-ylnonan-1-ol?
2-pentan-2-ylnonan-1-ol has a molecular weight of 214.39 g/mol, XLogP of 4.39, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentan-2-ylnonan-1-ol is sourced from PubChem (CID 23316007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).