1-butan-2-yl-3-pentan-2-yloxycyclohexane

C15H30O — CID 123995677

IUPAC1-butan-2-yl-3-pentan-2-yloxycyclohexane
SMILESCCCC(C)OC1CCCC(C(C)CC)C1
InChIInChI=1S/C15H30O/c1-5-8-13(4)16-15-10-7-9-14(11-15)12(3)6-2/h12-15H,5-11H2,1-4H3
InChIKeyCRFCXGOGBWYVIV-UHFFFAOYSA-N
MW226.40 g/mol
LogP4.80
Rot. Bonds6

About 1-butan-2-yl-3-pentan-2-yloxycyclohexane

1-butan-2-yl-3-pentan-2-yloxycyclohexane (PubChem CID 123995677) has the molecular formula C15H30O and a molecular weight of 226.40 g/mol. Its IUPAC name is 1-butan-2-yl-3-pentan-2-yloxycyclohexane.

Molecular Properties

Compound Name1-butan-2-yl-3-pentan-2-yloxycyclohexane
PubChem CID123995677
Molecular FormulaC15H30O
Molecular Weight226.40 g/mol
Exact Mass226.23
IUPAC Name1-butan-2-yl-3-pentan-2-yloxycyclohexane
SMILESCCCC(C)OC1CCCC(C(C)CC)C1
InChIInChI=1S/C15H30O/c1-5-8-13(4)16-15-10-7-9-14(11-15)12(3)6-2/h12-15H,5-11H2,1-4H3
InChIKeyCRFCXGOGBWYVIV-UHFFFAOYSA-N
XLogP4.80
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.40
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-methyl-3-pentan-2-ylcyclohexan-1-amine
CID 107888158
N-ethyl-3-pentan-2-yloxycyclobutan-1-amine
CID 102988766
(1S)-1-butan-2-yloxy-3-propan-2-ylcyclopentane
CID 134266441
N-ethyl-3-pentan-2-ylcyclohexan-1-amine
CID 107888160
butan-2-ylcyclohexane;heptane
CID 143477095
butan-2-ylcyclohexadecane
CID 123713671
butan-2-ylcyclopentane;ethane
CID 143236269
N-[3-(3-methylcyclohexyl)oxybutyl]cyclopropanamine
CID 115002291
1-butan-2-yloxy-4-pentan-2-ylcyclohexane
CID 123764512
1-hexan-3-yl-3-methylcyclohexane
CID 143887329
1-butan-2-yl-3-methylcyclopentane;ethane;methane;phosphane
CID 162271463
1-bromo-2-pentan-2-yloxycyclopentane
CID 102984522

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-3-pentan-2-yloxycyclohexane?
The IUPAC name of 1-butan-2-yl-3-pentan-2-yloxycyclohexane (CID 123995677) is 1-butan-2-yl-3-pentan-2-yloxycyclohexane.
What is the SMILES notation for 1-butan-2-yl-3-pentan-2-yloxycyclohexane?
The canonical SMILES for 1-butan-2-yl-3-pentan-2-yloxycyclohexane is CCCC(C)OC1CCCC(C(C)CC)C1.
What is the InChIKey of 1-butan-2-yl-3-pentan-2-yloxycyclohexane?
The InChIKey is CRFCXGOGBWYVIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O/c1-5-8-13(4)16-15-10-7-9-14(11-15)12(3)6-2/h12-15H,5-11H2,1-4H3.
What are the key properties of 1-butan-2-yl-3-pentan-2-yloxycyclohexane?
1-butan-2-yl-3-pentan-2-yloxycyclohexane has a molecular weight of 226.40 g/mol, XLogP of 4.80, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-3-pentan-2-yloxycyclohexane is sourced from PubChem (CID 123995677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).