(4S)-4-methoxy-3,3-dimethylhexane

C9H20O — CID 88893621

IUPAC(4S)-4-methoxy-3,3-dimethylhexane
SMILESCC[C@H](OC)C(C)(C)CC
InChIInChI=1S/C9H20O/c1-6-8(10-5)9(3,4)7-2/h8H,6-7H2,1-5H3/t8-/m0/s1
InChIKeyPFSMDTRQIDKPMF-QMMMGPOBSA-N
MW144.26 g/mol
LogP2.85
Rot. Bonds4

About (4S)-4-methoxy-3,3-dimethylhexane

(4S)-4-methoxy-3,3-dimethylhexane (PubChem CID 88893621) has the molecular formula C9H20O and a molecular weight of 144.26 g/mol. Its IUPAC name is (4S)-4-methoxy-3,3-dimethylhexane.

Molecular Properties

Compound Name(4S)-4-methoxy-3,3-dimethylhexane
PubChem CID88893621
Molecular FormulaC9H20O
Molecular Weight144.26 g/mol
Exact Mass144.15
IUPAC Name(4S)-4-methoxy-3,3-dimethylhexane
SMILESCC[C@H](OC)C(C)(C)CC
InChIInChI=1S/C9H20O/c1-6-8(10-5)9(3,4)7-2/h8H,6-7H2,1-5H3/t8-/m0/s1
InChIKeyPFSMDTRQIDKPMF-QMMMGPOBSA-N
XLogP2.85
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.26
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-methoxy-3,3-dimethylhexane?
The IUPAC name of (4S)-4-methoxy-3,3-dimethylhexane (CID 88893621) is (4S)-4-methoxy-3,3-dimethylhexane.
What is the SMILES notation for (4S)-4-methoxy-3,3-dimethylhexane?
The canonical SMILES for (4S)-4-methoxy-3,3-dimethylhexane is CC[C@H](OC)C(C)(C)CC.
What is the InChIKey of (4S)-4-methoxy-3,3-dimethylhexane?
The InChIKey is PFSMDTRQIDKPMF-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H20O/c1-6-8(10-5)9(3,4)7-2/h8H,6-7H2,1-5H3/t8-/m0/s1.
What are the key properties of (4S)-4-methoxy-3,3-dimethylhexane?
(4S)-4-methoxy-3,3-dimethylhexane has a molecular weight of 144.26 g/mol, XLogP of 2.85, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-methoxy-3,3-dimethylhexane is sourced from PubChem (CID 88893621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).