3-methylidene-1-propoxypentane

C9H18O — CID 123353086

IUPAC3-methylidene-1-propoxypentane
SMILESC=C(CC)CCOCCC
InChIInChI=1S/C9H18O/c1-4-7-10-8-6-9(3)5-2/h3-8H2,1-2H3
InChIKeyMQWMRUXEUKTIHH-UHFFFAOYSA-N
MW142.24 g/mol
LogP2.77
Rot. Bonds6

About 3-methylidene-1-propoxypentane

3-methylidene-1-propoxypentane (PubChem CID 123353086) has the molecular formula C9H18O and a molecular weight of 142.24 g/mol. Its IUPAC name is 3-methylidene-1-propoxypentane.

Molecular Properties

Compound Name3-methylidene-1-propoxypentane
PubChem CID123353086
Molecular FormulaC9H18O
Molecular Weight142.24 g/mol
Exact Mass142.14
IUPAC Name3-methylidene-1-propoxypentane
SMILESC=C(CC)CCOCCC
InChIInChI=1S/C9H18O/c1-4-7-10-8-6-9(3)5-2/h3-8H2,1-2H3
InChIKeyMQWMRUXEUKTIHH-UHFFFAOYSA-N
XLogP2.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.24
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Isopentenyl ether
CID 22034429
Ether, 3-butenyl pentyl
CID 537745
6-((3-Methylbut-3-en-1-yl)oxy)hex-1-ene
CID 163319896
2-Methyl-4-propoxybut-1-ene
CID 10749205
4-Butoxy-2-methylbut-1-ene
CID 12422923
2-Methyl-4-propan-2-yloxybut-1-ene
CID 12422925
4-Ethoxy-2-methylbut-1-ene
CID 12648786
1,5-Dibutoxy-3-methylidenepentane
CID 12721670
1,5-Dimethoxy-3-methylidenepentane
CID 12721671
2-Methyl-4-[(2-methylpropan-2-yl)oxy]but-1-ene
CID 15032743
1-(3-Methylbut-3-enoxy)hexane
CID 15937066
3-Methylbut-3-enoxycyclopentane
CID 17844101

Frequently Asked Questions

What is the IUPAC name of 3-methylidene-1-propoxypentane?
The IUPAC name of 3-methylidene-1-propoxypentane (CID 123353086) is 3-methylidene-1-propoxypentane.
What is the SMILES notation for 3-methylidene-1-propoxypentane?
The canonical SMILES for 3-methylidene-1-propoxypentane is C=C(CC)CCOCCC.
What is the InChIKey of 3-methylidene-1-propoxypentane?
The InChIKey is MQWMRUXEUKTIHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O/c1-4-7-10-8-6-9(3)5-2/h3-8H2,1-2H3.
What are the key properties of 3-methylidene-1-propoxypentane?
3-methylidene-1-propoxypentane has a molecular weight of 142.24 g/mol, XLogP of 2.77, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylidene-1-propoxypentane is sourced from PubChem (CID 123353086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).