(4S)-2-methyl-4-propan-2-yloxypentane

C9H20O — CID 155647514

IUPAC(4S)-2-methyl-4-propan-2-yloxypentane
SMILESCC(C)C[C@H](C)OC(C)C
InChIInChI=1S/C9H20O/c1-7(2)6-9(5)10-8(3)4/h7-9H,6H2,1-5H3/t9-/m0/s1
InChIKeyFZZHIBVEGOSTNX-VIFPVBQESA-N
MW144.26 g/mol
LogP2.85
Rot. Bonds4

About (4S)-2-methyl-4-propan-2-yloxypentane

(4S)-2-methyl-4-propan-2-yloxypentane (PubChem CID 155647514) has the molecular formula C9H20O and a molecular weight of 144.26 g/mol. Its IUPAC name is (4S)-2-methyl-4-propan-2-yloxypentane.

Molecular Properties

Compound Name(4S)-2-methyl-4-propan-2-yloxypentane
PubChem CID155647514
Molecular FormulaC9H20O
Molecular Weight144.26 g/mol
Exact Mass144.15
IUPAC Name(4S)-2-methyl-4-propan-2-yloxypentane
SMILESCC(C)C[C@H](C)OC(C)C
InChIInChI=1S/C9H20O/c1-7(2)6-9(5)10-8(3)4/h7-9H,6H2,1-5H3/t9-/m0/s1
InChIKeyFZZHIBVEGOSTNX-VIFPVBQESA-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

Analyze (4S)-2-methyl-4-propan-2-yloxypentane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,3-bis(4-methylpentan-2-yloxy)butanedioic acid
CID 18506290
3-(4-methylpentan-2-yloxy)butan-1-amine
CID 114995279
4-methyl-3-(4-methylpentan-2-yloxy)-1-propan-2-yloxypentane
CID 123262229
2-methyl-6-propan-2-yloxyheptane
CID 158226475
1-iodo-2-propan-2-yloxypropane
CID 144952725
2-methyl-N-(2-propan-2-yloxypropyl)propan-1-amine
CID 62444418
4-(2,6-dimethylheptan-4-yloxy)-2,6-dimethylheptane
CID 18359494
2,4-dimethylpentane
CID 157050020
2-[difluoro(propan-2-yloxy)methoxy]propane;2,5-dimethyl-2-propan-2-yloxyhexane;2-methyl-4-propan-2-yloxypentane;2-(propan-2-yloxymethoxy)propane
CID 160632577
ethyl (2R)-4-methyl-2-propan-2-yloxypentanoate
CID 89114303
2-[difluoro(propan-2-yloxy)methoxy]propane;2,5-dimethyl-2-propan-2-yloxyhexane;methane;2-methyl-4-propan-2-yloxypentane;2-(propan-2-yloxymethoxy)propane
CID 159340063
dimethyl-bis(4-methylpentan-2-yloxy)silane
CID 91733276

Frequently Asked Questions

What is the IUPAC name of (4S)-2-methyl-4-propan-2-yloxypentane?
The IUPAC name of (4S)-2-methyl-4-propan-2-yloxypentane (CID 155647514) is (4S)-2-methyl-4-propan-2-yloxypentane.
What is the SMILES notation for (4S)-2-methyl-4-propan-2-yloxypentane?
The canonical SMILES for (4S)-2-methyl-4-propan-2-yloxypentane is CC(C)C[C@H](C)OC(C)C.
What is the InChIKey of (4S)-2-methyl-4-propan-2-yloxypentane?
The InChIKey is FZZHIBVEGOSTNX-VIFPVBQESA-N. The full InChI is InChI=1S/C9H20O/c1-7(2)6-9(5)10-8(3)4/h7-9H,6H2,1-5H3/t9-/m0/s1.
What are the key properties of (4S)-2-methyl-4-propan-2-yloxypentane?
(4S)-2-methyl-4-propan-2-yloxypentane 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)-2-methyl-4-propan-2-yloxypentane is sourced from PubChem (CID 155647514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).