(3S)-4-propan-2-ylheptan-3-ol

C10H22O — CID 59039542

IUPAC(3S)-4-propan-2-ylheptan-3-ol
SMILESCCCC(C(C)C)[C@@H](O)CC
InChIInChI=1S/C10H22O/c1-5-7-9(8(3)4)10(11)6-2/h8-11H,5-7H2,1-4H3/t9?,10-/m0/s1
InChIKeyZWDABTUOFHBUKV-AXDSSHIGSA-N
MW158.28 g/mol
LogP2.83
Rot. Bonds5

About (3S)-4-propan-2-ylheptan-3-ol

(3S)-4-propan-2-ylheptan-3-ol (PubChem CID 59039542) has the molecular formula C10H22O and a molecular weight of 158.28 g/mol. Its IUPAC name is (3S)-4-propan-2-ylheptan-3-ol.

Molecular Properties

Compound Name(3S)-4-propan-2-ylheptan-3-ol
PubChem CID59039542
Molecular FormulaC10H22O
Molecular Weight158.28 g/mol
Exact Mass158.17
IUPAC Name(3S)-4-propan-2-ylheptan-3-ol
SMILESCCCC(C(C)C)[C@@H](O)CC
InChIInChI=1S/C10H22O/c1-5-7-9(8(3)4)10(11)6-2/h8-11H,5-7H2,1-4H3/t9?,10-/m0/s1
InChIKeyZWDABTUOFHBUKV-AXDSSHIGSA-N
XLogP2.83
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
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

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Related Compounds

5-propan-2-yloctan-4-ol
CID 23385171
(4S,5R)-5-propan-2-yloctan-4-ol
CID 59911289
3-ethyl-2-methylheptan-4-ol
CID 23384905
(4S)-3-ethyl-2-methylheptan-4-ol
CID 59039449
(2S)-2-propan-2-ylpentane-1,3-diol
CID 59911349
(4R)-4-methylheptan-3-ol
CID 12799251
(4S)-3-methyl-4-propan-2-ylheptane
CID 59076556
methane;(3S,4R)-3-methyl-4-propan-2-ylheptane
CID 159506310
(3S)-4-propan-2-ylhept-6-en-3-ol
CID 59039473
3,4-diethylheptane-2,5-diol
CID 86084347
2-bromo-3-propan-2-ylhexane
CID 63472075
magnesium;2-methylpentan-3-ol;dichloride
CID 175030591

Frequently Asked Questions

What is the IUPAC name of (3S)-4-propan-2-ylheptan-3-ol?
The IUPAC name of (3S)-4-propan-2-ylheptan-3-ol (CID 59039542) is (3S)-4-propan-2-ylheptan-3-ol.
What is the SMILES notation for (3S)-4-propan-2-ylheptan-3-ol?
The canonical SMILES for (3S)-4-propan-2-ylheptan-3-ol is CCCC(C(C)C)[C@@H](O)CC.
What is the InChIKey of (3S)-4-propan-2-ylheptan-3-ol?
The InChIKey is ZWDABTUOFHBUKV-AXDSSHIGSA-N. The full InChI is InChI=1S/C10H22O/c1-5-7-9(8(3)4)10(11)6-2/h8-11H,5-7H2,1-4H3/t9?,10-/m0/s1.
What are the key properties of (3S)-4-propan-2-ylheptan-3-ol?
(3S)-4-propan-2-ylheptan-3-ol has a molecular weight of 158.28 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-propan-2-ylheptan-3-ol is sourced from PubChem (CID 59039542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).