4-ethyl-1-(3-methylpentyl)bicyclo[3.1.0]hexane

C14H26 — CID 123376807

IUPAC4-ethyl-1-(3-methylpentyl)bicyclo[3.1.0]hexane
SMILESCCC(C)CCC12CCC(CC)C1C2
InChIInChI=1S/C14H26/c1-4-11(3)6-8-14-9-7-12(5-2)13(14)10-14/h11-13H,4-10H2,1-3H3
InChIKeyNKJKRTZEHOUMKH-UHFFFAOYSA-N
MW194.36 g/mol
LogP4.64
Rot. Bonds5

About 4-ethyl-1-(3-methylpentyl)bicyclo[3.1.0]hexane

4-ethyl-1-(3-methylpentyl)bicyclo[3.1.0]hexane (PubChem CID 123376807) has the molecular formula C14H26 and a molecular weight of 194.36 g/mol. Its IUPAC name is 4-ethyl-1-(3-methylpentyl)bicyclo[3.1.0]hexane.

Molecular Properties

Compound Name4-ethyl-1-(3-methylpentyl)bicyclo[3.1.0]hexane
PubChem CID123376807
Molecular FormulaC14H26
Molecular Weight194.36 g/mol
Exact Mass194.20
IUPAC Name4-ethyl-1-(3-methylpentyl)bicyclo[3.1.0]hexane
SMILESCCC(C)CCC12CCC(CC)C1C2
InChIInChI=1S/C14H26/c1-4-11(3)6-8-14-9-7-12(5-2)13(14)10-14/h11-13H,4-10H2,1-3H3
InChIKeyNKJKRTZEHOUMKH-UHFFFAOYSA-N
XLogP4.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.36
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3-ethyl-1-(3-methylheptyl)bicyclo[2.2.0]hexane
CID 123570187
4-ethyl-1-(5-methylhex-5-enyl)bicyclo[3.1.0]hexane
CID 123153245
(1R,3S,6S)-3-[(1R,2R)-2-[(2S)-2-methylbutyl]cyclobutyl]tricyclo[4.1.0.01,3]heptane
CID 143363592
1-ethyl-2-(2-methylbutyl)cyclopentane
CID 144979095
3-methylpentylcyclopropane
CID 56979389
4-ethyl-1-(2-methylbutyl)cyclohexan-1-ol
CID 65147481
1-(3,4-dimethylpentyl)bicyclo[2.2.0]hexane
CID 123582188
2-methyl-2-(3-methylpentyl)-1,3-dioxolane
CID 13315713
1-cyclobutyl-2-methyl-3-(3-methylpentyl)-1-propan-2-ylcyclopentane
CID 123254036
3-(3-methylpentyl)-7-oxabicyclo[4.1.0]heptane
CID 129014317
1,3-diethyl-1-(2-methylbutyl)cyclopentane
CID 123267879
7,8,10a-trimethyl-8-(3-methylpentyl)-1,2,3,4,4a,4b,5,6,7,8a,9,10-dodecahydrophenanthrene-1-carbaldehyde
CID 155751221

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-(3-methylpentyl)bicyclo[3.1.0]hexane?
The IUPAC name of 4-ethyl-1-(3-methylpentyl)bicyclo[3.1.0]hexane (CID 123376807) is 4-ethyl-1-(3-methylpentyl)bicyclo[3.1.0]hexane.
What is the SMILES notation for 4-ethyl-1-(3-methylpentyl)bicyclo[3.1.0]hexane?
The canonical SMILES for 4-ethyl-1-(3-methylpentyl)bicyclo[3.1.0]hexane is CCC(C)CCC12CCC(CC)C1C2.
What is the InChIKey of 4-ethyl-1-(3-methylpentyl)bicyclo[3.1.0]hexane?
The InChIKey is NKJKRTZEHOUMKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26/c1-4-11(3)6-8-14-9-7-12(5-2)13(14)10-14/h11-13H,4-10H2,1-3H3.
What are the key properties of 4-ethyl-1-(3-methylpentyl)bicyclo[3.1.0]hexane?
4-ethyl-1-(3-methylpentyl)bicyclo[3.1.0]hexane has a molecular weight of 194.36 g/mol, XLogP of 4.64, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-(3-methylpentyl)bicyclo[3.1.0]hexane is sourced from PubChem (CID 123376807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).