(2S,3S)-2-methoxy-3-methylpentan-1-ol

C7H16O2 — CID 14069954

IUPAC(2S,3S)-2-methoxy-3-methylpentan-1-ol
SMILESCC[C@H](C)[C@@H](CO)OC
InChIInChI=1S/C7H16O2/c1-4-6(2)7(5-8)9-3/h6-8H,4-5H2,1-3H3/t6-,7+/m0/s1
InChIKeyFWBDMHGUNVQYON-NKWVEPMBSA-N
MW132.20 g/mol
LogP1.04
Rot. Bonds4

About (2S,3S)-2-methoxy-3-methylpentan-1-ol

(2S,3S)-2-methoxy-3-methylpentan-1-ol (PubChem CID 14069954) has the molecular formula C7H16O2 and a molecular weight of 132.20 g/mol. Its IUPAC name is (2S,3S)-2-methoxy-3-methylpentan-1-ol.

Molecular Properties

Compound Name(2S,3S)-2-methoxy-3-methylpentan-1-ol
PubChem CID14069954
Molecular FormulaC7H16O2
Molecular Weight132.20 g/mol
Exact Mass132.12
IUPAC Name(2S,3S)-2-methoxy-3-methylpentan-1-ol
SMILESCC[C@H](C)[C@@H](CO)OC
InChIInChI=1S/C7H16O2/c1-4-6(2)7(5-8)9-3/h6-8H,4-5H2,1-3H3/t6-,7+/m0/s1
InChIKeyFWBDMHGUNVQYON-NKWVEPMBSA-N
XLogP1.04
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.20
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-methoxy-3-methylpentan-1-ol?
The IUPAC name of (2S,3S)-2-methoxy-3-methylpentan-1-ol (CID 14069954) is (2S,3S)-2-methoxy-3-methylpentan-1-ol.
What is the SMILES notation for (2S,3S)-2-methoxy-3-methylpentan-1-ol?
The canonical SMILES for (2S,3S)-2-methoxy-3-methylpentan-1-ol is CC[C@H](C)[C@@H](CO)OC.
What is the InChIKey of (2S,3S)-2-methoxy-3-methylpentan-1-ol?
The InChIKey is FWBDMHGUNVQYON-NKWVEPMBSA-N. The full InChI is InChI=1S/C7H16O2/c1-4-6(2)7(5-8)9-3/h6-8H,4-5H2,1-3H3/t6-,7+/m0/s1.
What are the key properties of (2S,3S)-2-methoxy-3-methylpentan-1-ol?
(2S,3S)-2-methoxy-3-methylpentan-1-ol has a molecular weight of 132.20 g/mol, XLogP of 1.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-methoxy-3-methylpentan-1-ol is sourced from PubChem (CID 14069954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).