2,3,4-trimethyl-1-propoxypentane

C11H24O — CID 121286105

IUPAC2,3,4-trimethyl-1-propoxypentane
SMILESCCCOCC(C)C(C)C(C)C
InChIInChI=1S/C11H24O/c1-6-7-12-8-10(4)11(5)9(2)3/h9-11H,6-8H2,1-5H3
InChIKeyCWPPADCNLGVJHB-UHFFFAOYSA-N
MW172.31 g/mol
LogP3.34
Rot. Bonds6

About 2,3,4-trimethyl-1-propoxypentane

2,3,4-trimethyl-1-propoxypentane (PubChem CID 121286105) has the molecular formula C11H24O and a molecular weight of 172.31 g/mol. Its IUPAC name is 2,3,4-trimethyl-1-propoxypentane.

Molecular Properties

Compound Name2,3,4-trimethyl-1-propoxypentane
PubChem CID121286105
Molecular FormulaC11H24O
Molecular Weight172.31 g/mol
Exact Mass172.18
IUPAC Name2,3,4-trimethyl-1-propoxypentane
SMILESCCCOCC(C)C(C)C(C)C
InChIInChI=1S/C11H24O/c1-6-7-12-8-10(4)11(5)9(2)3/h9-11H,6-8H2,1-5H3
InChIKeyCWPPADCNLGVJHB-UHFFFAOYSA-N
XLogP3.34
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.31
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-methyl-1-propoxypentan-2-amine
CID 79446501
(4S)-2,3,4-trimethylhexane
CID 58359072
3-methyl-1-propoxyhexan-2-amine
CID 105008414
CID 59269514
CID 59269514
4-butan-2-yl-2,3,5,6-tetramethylheptane
CID 123598520
1-(2,3-dimethylbutoxy)-4-methylpentane
CID 157134146
3,3-dimethyl-1-propoxybutan-2-ol
CID 20658603
2-methoxy-1-(2-propoxyethoxy)propane
CID 131970313
N-(2,3-dimethyl-4-propoxybutyl)cyclopropanamine
CID 81015534
4-bromo-2-methyl-1-propoxypentane
CID 79569585
N-methyl-1-(2-propoxyethoxy)propan-2-amine
CID 63686556
1-ethoxy-2-methylpropane;1-propoxypropane
CID 174535854

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trimethyl-1-propoxypentane?
The IUPAC name of 2,3,4-trimethyl-1-propoxypentane (CID 121286105) is 2,3,4-trimethyl-1-propoxypentane.
What is the SMILES notation for 2,3,4-trimethyl-1-propoxypentane?
The canonical SMILES for 2,3,4-trimethyl-1-propoxypentane is CCCOCC(C)C(C)C(C)C.
What is the InChIKey of 2,3,4-trimethyl-1-propoxypentane?
The InChIKey is CWPPADCNLGVJHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O/c1-6-7-12-8-10(4)11(5)9(2)3/h9-11H,6-8H2,1-5H3.
What are the key properties of 2,3,4-trimethyl-1-propoxypentane?
2,3,4-trimethyl-1-propoxypentane has a molecular weight of 172.31 g/mol, XLogP of 3.34, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trimethyl-1-propoxypentane is sourced from PubChem (CID 121286105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).