(1S)-1-butan-2-yloxy-3-propan-2-ylcyclopentane

C12H24O — CID 134266441

IUPAC(1S)-1-butan-2-yloxy-3-propan-2-ylcyclopentane
SMILESCCC(C)O[C@H]1CCC(C(C)C)C1
InChIInChI=1S/C12H24O/c1-5-10(4)13-12-7-6-11(8-12)9(2)3/h9-12H,5-8H2,1-4H3/t10?,11?,12-/m0/s1
InChIKeyXWPRXBVRBDNGTF-MCIGGMRASA-N
MW184.32 g/mol
LogP3.63
Rot. Bonds4

About (1S)-1-butan-2-yloxy-3-propan-2-ylcyclopentane

(1S)-1-butan-2-yloxy-3-propan-2-ylcyclopentane (PubChem CID 134266441) has the molecular formula C12H24O and a molecular weight of 184.32 g/mol. Its IUPAC name is (1S)-1-butan-2-yloxy-3-propan-2-ylcyclopentane.

Molecular Properties

Compound Name(1S)-1-butan-2-yloxy-3-propan-2-ylcyclopentane
PubChem CID134266441
Molecular FormulaC12H24O
Molecular Weight184.32 g/mol
Exact Mass184.18
IUPAC Name(1S)-1-butan-2-yloxy-3-propan-2-ylcyclopentane
SMILESCCC(C)O[C@H]1CCC(C(C)C)C1
InChIInChI=1S/C12H24O/c1-5-10(4)13-12-7-6-11(8-12)9(2)3/h9-12H,5-8H2,1-4H3/t10?,11?,12-/m0/s1
InChIKeyXWPRXBVRBDNGTF-MCIGGMRASA-N
XLogP3.63
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.32
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-butan-2-yloxy-4-pentan-2-ylcyclohexane
CID 123764512
1-propan-2-yl-4-propan-2-yloxycyclohexane
CID 18386923
4-butan-2-yloxypiperidine
CID 43346315
1-butan-2-yl-3-pentan-2-yloxycyclohexane
CID 123995677
4-butan-2-yloxycyclohexane-1-carboxylic acid
CID 90797146
5-butan-2-yloxybicyclo[2.1.0]pentane
CID 90886717
1-(difluoromethoxy)-3-propan-2-ylcyclohexane
CID 89268297
1-butan-2-yl-4-propan-2-yloxycyclohexane
CID 23528463
1-methoxy-3-[1-(3-propan-2-ylcyclobutyl)oxyethyl]cyclopentane
CID 154964440
1-butan-2-yl-4-[1-(4-propan-2-ylcyclohexyl)ethyl]cyclohexane
CID 153382511
2-octan-2-yloxy-4-propan-2-ylcyclohexan-1-ol
CID 55192847
propyl 3-(4-butan-2-yloxy-2-methylcyclohexyl)butanoate
CID 177194464

Frequently Asked Questions

What is the IUPAC name of (1S)-1-butan-2-yloxy-3-propan-2-ylcyclopentane?
The IUPAC name of (1S)-1-butan-2-yloxy-3-propan-2-ylcyclopentane (CID 134266441) is (1S)-1-butan-2-yloxy-3-propan-2-ylcyclopentane.
What is the SMILES notation for (1S)-1-butan-2-yloxy-3-propan-2-ylcyclopentane?
The canonical SMILES for (1S)-1-butan-2-yloxy-3-propan-2-ylcyclopentane is CCC(C)O[C@H]1CCC(C(C)C)C1.
What is the InChIKey of (1S)-1-butan-2-yloxy-3-propan-2-ylcyclopentane?
The InChIKey is XWPRXBVRBDNGTF-MCIGGMRASA-N. The full InChI is InChI=1S/C12H24O/c1-5-10(4)13-12-7-6-11(8-12)9(2)3/h9-12H,5-8H2,1-4H3/t10?,11?,12-/m0/s1.
What are the key properties of (1S)-1-butan-2-yloxy-3-propan-2-ylcyclopentane?
(1S)-1-butan-2-yloxy-3-propan-2-ylcyclopentane has a molecular weight of 184.32 g/mol, XLogP of 3.63, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-butan-2-yloxy-3-propan-2-ylcyclopentane is sourced from PubChem (CID 134266441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).