(2S)-2-propan-2-ylheptan-1-ol

C10H22O — CID 122598639

IUPAC(2S)-2-propan-2-ylheptan-1-ol
SMILESCCCCC[C@H](CO)C(C)C
InChIInChI=1S/C10H22O/c1-4-5-6-7-10(8-11)9(2)3/h9-11H,4-8H2,1-3H3/t10-/m1/s1
InChIKeyAOWJVNTZMBKLQO-SNVBAGLBSA-N
MW158.28 g/mol
LogP2.83
Rot. Bonds6

About (2S)-2-propan-2-ylheptan-1-ol

(2S)-2-propan-2-ylheptan-1-ol (PubChem CID 122598639) has the molecular formula C10H22O and a molecular weight of 158.28 g/mol. Its IUPAC name is (2S)-2-propan-2-ylheptan-1-ol.

Molecular Properties

Compound Name(2S)-2-propan-2-ylheptan-1-ol
PubChem CID122598639
Molecular FormulaC10H22O
Molecular Weight158.28 g/mol
Exact Mass158.17
IUPAC Name(2S)-2-propan-2-ylheptan-1-ol
SMILESCCCCC[C@H](CO)C(C)C
InChIInChI=1S/C10H22O/c1-4-5-6-7-10(8-11)9(2)3/h9-11H,4-8H2,1-3H3/t10-/m1/s1
InChIKeyAOWJVNTZMBKLQO-SNVBAGLBSA-N
XLogP2.83
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.28
LogP ≤ 52.83
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

8-propan-2-ylpentadecane
CID 153475308
6-propan-2-yltridecane
CID 123704479
2-butan-2-ylheptan-1-ol
CID 86041006
2-pentan-2-ylnonan-1-ol
CID 23316007
4-propan-2-yldecane
CID 15038736
(2S)-6-methyl-2-propan-2-ylheptan-1-ol
CID 167319814
2-heptacosan-14-ylbutane-1,4-diol
CID 89333214
2-butyl-3-propylbutane-1,4-diol
CID 87266771
2-propan-2-yloctan-1-amine
CID 62504332
(2R)-2-methyloctadecan-1-ol
CID 122453872
2,3,4-tributylpentane-1,5-diol
CID 174428369
2-butyl-3-(hydroxymethyl)hexane-1,6-diol
CID 175072531

Frequently Asked Questions

What is the IUPAC name of (2S)-2-propan-2-ylheptan-1-ol?
The IUPAC name of (2S)-2-propan-2-ylheptan-1-ol (CID 122598639) is (2S)-2-propan-2-ylheptan-1-ol.
What is the SMILES notation for (2S)-2-propan-2-ylheptan-1-ol?
The canonical SMILES for (2S)-2-propan-2-ylheptan-1-ol is CCCCC[C@H](CO)C(C)C.
What is the InChIKey of (2S)-2-propan-2-ylheptan-1-ol?
The InChIKey is AOWJVNTZMBKLQO-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H22O/c1-4-5-6-7-10(8-11)9(2)3/h9-11H,4-8H2,1-3H3/t10-/m1/s1.
What are the key properties of (2S)-2-propan-2-ylheptan-1-ol?
(2S)-2-propan-2-ylheptan-1-ol has a molecular weight of 158.28 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-propan-2-ylheptan-1-ol is sourced from PubChem (CID 122598639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).