2-methylpropylcyclobutane;4-(2-methylpropyl)oxane

C17H34O — CID 157070530

IUPAC2-methylpropylcyclobutane;4-(2-methylpropyl)oxane
SMILESCC(C)CC1CCC1.CC(C)CC1CCOCC1
InChIInChI=1S/C9H18O.C8H16/c1-8(2)7-9-3-5-10-6-4-9;1-7(2)6-8-4-3-5-8/h8-9H,3-7H2,1-2H3;7-8H,3-6H2,1-2H3
InChIKeyACJKCXUNIMCGPZ-UHFFFAOYSA-N
MW254.46 g/mol
LogP5.29
Rot. Bonds4

About 2-methylpropylcyclobutane;4-(2-methylpropyl)oxane

2-methylpropylcyclobutane;4-(2-methylpropyl)oxane (PubChem CID 157070530) has the molecular formula C17H34O and a molecular weight of 254.46 g/mol. Its IUPAC name is 2-methylpropylcyclobutane;4-(2-methylpropyl)oxane.

Molecular Properties

Compound Name2-methylpropylcyclobutane;4-(2-methylpropyl)oxane
PubChem CID157070530
Molecular FormulaC17H34O
Molecular Weight254.46 g/mol
Exact Mass254.26
IUPAC Name2-methylpropylcyclobutane;4-(2-methylpropyl)oxane
SMILESCC(C)CC1CCC1.CC(C)CC1CCOCC1
InChIInChI=1S/C9H18O.C8H16/c1-8(2)7-9-3-5-10-6-4-9;1-7(2)6-8-4-3-5-8/h8-9H,3-7H2,1-2H3;7-8H,3-6H2,1-2H3
InChIKeyACJKCXUNIMCGPZ-UHFFFAOYSA-N
XLogP5.29
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.46
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

bis(2-methylpropylcyclohexane);2-methylpropylcyclopentane
CID 159474199
methane;2-methylpropylcyclopentane
CID 161254337
2-methylpropylcyclopentane;2-methylpropylcyclopropane
CID 159402972
2-methylpropylcyclohexane;2-methylpropylcyclopentane;2-methylpropylcyclopropane
CID 159692112
cyclopentane;iron;2-methylpropylcyclopentane
CID 172726896
(2S)-1-(oxan-4-yl)propan-2-amine
CID 94422387
1-(oxan-4-yl)propan-2-amine
CID 21054632
3-(2-methylpropyl)-1-[2-(oxan-4-yl)ethyl]piperidine
CID 169242150
1-cyclopentyl-3-(oxan-4-yl)propan-2-ol
CID 115789647
[5-methyl-1-(oxan-4-yl)hexan-2-yl]hydrazine
CID 105207471
N-[2-methyl-3-(oxan-4-yl)propyl]cyclobutanamine
CID 104586206
3-methylbutan-2-ylcyclohexane;bis(2-methylpropylcyclobutane);2-methylpropylcyclohexane
CID 161332116

Frequently Asked Questions

What is the IUPAC name of 2-methylpropylcyclobutane;4-(2-methylpropyl)oxane?
The IUPAC name of 2-methylpropylcyclobutane;4-(2-methylpropyl)oxane (CID 157070530) is 2-methylpropylcyclobutane;4-(2-methylpropyl)oxane.
What is the SMILES notation for 2-methylpropylcyclobutane;4-(2-methylpropyl)oxane?
The canonical SMILES for 2-methylpropylcyclobutane;4-(2-methylpropyl)oxane is CC(C)CC1CCC1.CC(C)CC1CCOCC1.
What is the InChIKey of 2-methylpropylcyclobutane;4-(2-methylpropyl)oxane?
The InChIKey is ACJKCXUNIMCGPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O.C8H16/c1-8(2)7-9-3-5-10-6-4-9;1-7(2)6-8-4-3-5-8/h8-9H,3-7H2,1-2H3;7-8H,3-6H2,1-2H3.
What are the key properties of 2-methylpropylcyclobutane;4-(2-methylpropyl)oxane?
2-methylpropylcyclobutane;4-(2-methylpropyl)oxane has a molecular weight of 254.46 g/mol, XLogP of 5.29, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropylcyclobutane;4-(2-methylpropyl)oxane is sourced from PubChem (CID 157070530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).