(3S)-3,7-dimethyloctan-1-ol

C10H22O — CID 6992239

IUPAC(3S)-3,7-dimethyloctan-1-ol
SMILESCC(C)CCC[C@H](C)CCO
InChIInChI=1S/C10H22O/c1-9(2)5-4-6-10(3)7-8-11/h9-11H,4-8H2,1-3H3/t10-/m0/s1
InChIKeyPRNCMAKCNVRZFX-JTQLQIEISA-N
MW158.28 g/mol
LogP2.83
Rot. Bonds6

About (3S)-3,7-dimethyloctan-1-ol

(3S)-3,7-dimethyloctan-1-ol (PubChem CID 6992239) has the molecular formula C10H22O and a molecular weight of 158.28 g/mol. Its IUPAC name is (3S)-3,7-dimethyloctan-1-ol.

Molecular Properties

Compound Name(3S)-3,7-dimethyloctan-1-ol
PubChem CID6992239
Molecular FormulaC10H22O
Molecular Weight158.28 g/mol
Exact Mass158.17
IUPAC Name(3S)-3,7-dimethyloctan-1-ol
SMILESCC(C)CCC[C@H](C)CCO
InChIInChI=1S/C10H22O/c1-9(2)5-4-6-10(3)7-8-11/h9-11H,4-8H2,1-3H3/t10-/m0/s1
InChIKeyPRNCMAKCNVRZFX-JTQLQIEISA-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

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Frequently Asked Questions

What is the IUPAC name of (3S)-3,7-dimethyloctan-1-ol?
The IUPAC name of (3S)-3,7-dimethyloctan-1-ol (CID 6992239) is (3S)-3,7-dimethyloctan-1-ol.
What is the SMILES notation for (3S)-3,7-dimethyloctan-1-ol?
The canonical SMILES for (3S)-3,7-dimethyloctan-1-ol is CC(C)CCC[C@H](C)CCO.
What is the InChIKey of (3S)-3,7-dimethyloctan-1-ol?
The InChIKey is PRNCMAKCNVRZFX-JTQLQIEISA-N. The full InChI is InChI=1S/C10H22O/c1-9(2)5-4-6-10(3)7-8-11/h9-11H,4-8H2,1-3H3/t10-/m0/s1.
What are the key properties of (3S)-3,7-dimethyloctan-1-ol?
(3S)-3,7-dimethyloctan-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 (3S)-3,7-dimethyloctan-1-ol is sourced from PubChem (CID 6992239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).