(3S,5R)-3,5-dimethylheptan-1-ol

C9H20O — CID 99134990

IUPAC(3S,5R)-3,5-dimethylheptan-1-ol
SMILESCC[C@@H](C)C[C@H](C)CCO
InChIInChI=1S/C9H20O/c1-4-8(2)7-9(3)5-6-10/h8-10H,4-7H2,1-3H3/t8-,9-/m1/s1
InChIKeyHBUKPSFSXBTFFW-RKDXNWHRSA-N
MW144.26 g/mol
LogP2.44
Rot. Bonds5

About (3S,5R)-3,5-dimethylheptan-1-ol

(3S,5R)-3,5-dimethylheptan-1-ol (PubChem CID 99134990) has the molecular formula C9H20O and a molecular weight of 144.26 g/mol. Its IUPAC name is (3S,5R)-3,5-dimethylheptan-1-ol.

Molecular Properties

Compound Name(3S,5R)-3,5-dimethylheptan-1-ol
PubChem CID99134990
Molecular FormulaC9H20O
Molecular Weight144.26 g/mol
Exact Mass144.15
IUPAC Name(3S,5R)-3,5-dimethylheptan-1-ol
SMILESCC[C@@H](C)C[C@H](C)CCO
InChIInChI=1S/C9H20O/c1-4-8(2)7-9(3)5-6-10/h8-10H,4-7H2,1-3H3/t8-,9-/m1/s1
InChIKeyHBUKPSFSXBTFFW-RKDXNWHRSA-N
XLogP2.44
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.26
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(4S,6S)-4,6-dimethyloctan-1-ol
CID 92950690
3,5,7,10,12-pentamethyltetradecane
CID 59582352
3,5-dimethylheptane;ethane
CID 172617343
(2S,4R,6R,8R,10R)-2,4,6,8,10-pentamethyldodecan-1-ol
CID 54763066
3,5,7,9,11,13,15-heptamethyloctadecane
CID 20645188
2,4,7,9-tetramethylundecane
CID 91346710
3,5,7,9-tetramethyldodecane
CID 91047062
3,5-dimethylheptane;ethane;methanol;propane
CID 176685880
5-ethyl-3-methyldecan-1-ol
CID 54287791
(6R)-6-chloro-4-methyloctan-1-ol
CID 88596196
3,5-dimethylheptane;3,4-dimethylhexane;3,6-dimethyloctane
CID 161182355
3,5-dimethylpentacosane
CID 86177199

Frequently Asked Questions

What is the IUPAC name of (3S,5R)-3,5-dimethylheptan-1-ol?
The IUPAC name of (3S,5R)-3,5-dimethylheptan-1-ol (CID 99134990) is (3S,5R)-3,5-dimethylheptan-1-ol.
What is the SMILES notation for (3S,5R)-3,5-dimethylheptan-1-ol?
The canonical SMILES for (3S,5R)-3,5-dimethylheptan-1-ol is CC[C@@H](C)C[C@H](C)CCO.
What is the InChIKey of (3S,5R)-3,5-dimethylheptan-1-ol?
The InChIKey is HBUKPSFSXBTFFW-RKDXNWHRSA-N. The full InChI is InChI=1S/C9H20O/c1-4-8(2)7-9(3)5-6-10/h8-10H,4-7H2,1-3H3/t8-,9-/m1/s1.
What are the key properties of (3S,5R)-3,5-dimethylheptan-1-ol?
(3S,5R)-3,5-dimethylheptan-1-ol has a molecular weight of 144.26 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-3,5-dimethylheptan-1-ol is sourced from PubChem (CID 99134990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).