(4S)-4-methoxy-5-methylhexan-1-ol

C8H18O2 — CID 131848315

IUPAC(4S)-4-methoxy-5-methylhexan-1-ol
SMILESCO[C@@H](CCCO)C(C)C
InChIInChI=1S/C8H18O2/c1-7(2)8(10-3)5-4-6-9/h7-9H,4-6H2,1-3H3/t8-/m0/s1
InChIKeyGQWXJUATZGRGEV-QMMMGPOBSA-N
MW146.23 g/mol
LogP1.43
Rot. Bonds5

About (4S)-4-methoxy-5-methylhexan-1-ol

(4S)-4-methoxy-5-methylhexan-1-ol (PubChem CID 131848315) has the molecular formula C8H18O2 and a molecular weight of 146.23 g/mol. Its IUPAC name is (4S)-4-methoxy-5-methylhexan-1-ol.

Molecular Properties

Compound Name(4S)-4-methoxy-5-methylhexan-1-ol
PubChem CID131848315
Molecular FormulaC8H18O2
Molecular Weight146.23 g/mol
Exact Mass146.13
IUPAC Name(4S)-4-methoxy-5-methylhexan-1-ol
SMILESCO[C@@H](CCCO)C(C)C
InChIInChI=1S/C8H18O2/c1-7(2)8(10-3)5-4-6-9/h7-9H,4-6H2,1-3H3/t8-/m0/s1
InChIKeyGQWXJUATZGRGEV-QMMMGPOBSA-N
XLogP1.43
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.23
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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12,12-dimethoxydodecan-1-ol
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4-ethyl-5-methylhexan-1-ol
CID 87192920
1-chloro-2-methoxy-3-methylbutane
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(2S)-2-methoxy-3-methylbutan-1-amine
CID 26188668
4-methylpentan-1-ol;titanium;dihydrate
CID 175523375
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3-methylbutan-1-ol;3-methylbutan-2-ol;4-methylpentan-1-ol
CID 159995957

Frequently Asked Questions

What is the IUPAC name of (4S)-4-methoxy-5-methylhexan-1-ol?
The IUPAC name of (4S)-4-methoxy-5-methylhexan-1-ol (CID 131848315) is (4S)-4-methoxy-5-methylhexan-1-ol.
What is the SMILES notation for (4S)-4-methoxy-5-methylhexan-1-ol?
The canonical SMILES for (4S)-4-methoxy-5-methylhexan-1-ol is CO[C@@H](CCCO)C(C)C.
What is the InChIKey of (4S)-4-methoxy-5-methylhexan-1-ol?
The InChIKey is GQWXJUATZGRGEV-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H18O2/c1-7(2)8(10-3)5-4-6-9/h7-9H,4-6H2,1-3H3/t8-/m0/s1.
What are the key properties of (4S)-4-methoxy-5-methylhexan-1-ol?
(4S)-4-methoxy-5-methylhexan-1-ol has a molecular weight of 146.23 g/mol, XLogP of 1.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-methoxy-5-methylhexan-1-ol is sourced from PubChem (CID 131848315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).