3-ethyl-1-(3-methylheptyl)bicyclo[2.2.0]hexane

C16H30 — CID 123570187

IUPAC3-ethyl-1-(3-methylheptyl)bicyclo[2.2.0]hexane
SMILESCCCCC(C)CCC12CCC1C(CC)C2
InChIInChI=1S/C16H30/c1-4-6-7-13(3)8-10-16-11-9-15(16)14(5-2)12-16/h13-15H,4-12H2,1-3H3
InChIKeyNSTSJCSQGIANAN-UHFFFAOYSA-N
MW222.42 g/mol
LogP5.42
Rot. Bonds7

About 3-ethyl-1-(3-methylheptyl)bicyclo[2.2.0]hexane

3-ethyl-1-(3-methylheptyl)bicyclo[2.2.0]hexane (PubChem CID 123570187) has the molecular formula C16H30 and a molecular weight of 222.42 g/mol. Its IUPAC name is 3-ethyl-1-(3-methylheptyl)bicyclo[2.2.0]hexane.

Molecular Properties

Compound Name3-ethyl-1-(3-methylheptyl)bicyclo[2.2.0]hexane
PubChem CID123570187
Molecular FormulaC16H30
Molecular Weight222.42 g/mol
Exact Mass222.23
IUPAC Name3-ethyl-1-(3-methylheptyl)bicyclo[2.2.0]hexane
SMILESCCCCC(C)CCC12CCC1C(CC)C2
InChIInChI=1S/C16H30/c1-4-6-7-13(3)8-10-16-11-9-15(16)14(5-2)12-16/h13-15H,4-12H2,1-3H3
InChIKeyNSTSJCSQGIANAN-UHFFFAOYSA-N
XLogP5.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500222.42
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-ethyl-1-(3-methylpentyl)bicyclo[3.1.0]hexane
CID 123376807
5,17-dimethylnonacosane
CID 56936184
5,13,19-trimethylheptatriacontane
CID 172565409
5,23-dimethyltritriacontane
CID 71339926
5-methyloctatriacontane
CID 527416
(5S)-5-methylnonadecane
CID 170848384
5,15-dimethylpentatriacontane
CID 6430641
5,11-dimethylheptacosane
CID 6430065
5-methylicosane
CID 527472
5,9,17-trimethylhenicosane
CID 123913465
1-ethyl-2-methyl-1-(2-methylhexyl)cyclobutane
CID 123200605
ethane;2-(9-methylhexadecyl)-2-octadecyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole
CID 144515173

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(3-methylheptyl)bicyclo[2.2.0]hexane?
The IUPAC name of 3-ethyl-1-(3-methylheptyl)bicyclo[2.2.0]hexane (CID 123570187) is 3-ethyl-1-(3-methylheptyl)bicyclo[2.2.0]hexane.
What is the SMILES notation for 3-ethyl-1-(3-methylheptyl)bicyclo[2.2.0]hexane?
The canonical SMILES for 3-ethyl-1-(3-methylheptyl)bicyclo[2.2.0]hexane is CCCCC(C)CCC12CCC1C(CC)C2.
What is the InChIKey of 3-ethyl-1-(3-methylheptyl)bicyclo[2.2.0]hexane?
The InChIKey is NSTSJCSQGIANAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30/c1-4-6-7-13(3)8-10-16-11-9-15(16)14(5-2)12-16/h13-15H,4-12H2,1-3H3.
What are the key properties of 3-ethyl-1-(3-methylheptyl)bicyclo[2.2.0]hexane?
3-ethyl-1-(3-methylheptyl)bicyclo[2.2.0]hexane has a molecular weight of 222.42 g/mol, XLogP of 5.42, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(3-methylheptyl)bicyclo[2.2.0]hexane is sourced from PubChem (CID 123570187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).