1-[4-ethyl-2-methyl-6-(2-methylcyclopropyl)hex-3-en-2-yl]-2,3-dimethylcyclobutane

C19H34 — CID 90891808

IUPAC1-[4-ethyl-2-methyl-6-(2-methylcyclopropyl)hex-3-en-2-yl]-2,3-dimethylcyclobutane
SMILESCCC(=CC(C)(C)C1CC(C)C1C)CCC1CC1C
InChIInChI=1S/C19H34/c1-7-16(8-9-17-10-14(17)3)12-19(5,6)18-11-13(2)15(18)4/h12-15,17-18H,7-11H2,1-6H3
InChIKeyYFLSGOPSISHZFJ-UHFFFAOYSA-N
MW262.48 g/mol
LogP6.08
Rot. Bonds6

About 1-[4-ethyl-2-methyl-6-(2-methylcyclopropyl)hex-3-en-2-yl]-2,3-dimethylcyclobutane

1-[4-ethyl-2-methyl-6-(2-methylcyclopropyl)hex-3-en-2-yl]-2,3-dimethylcyclobutane (PubChem CID 90891808) has the molecular formula C19H34 and a molecular weight of 262.48 g/mol. Its IUPAC name is 1-[4-ethyl-2-methyl-6-(2-methylcyclopropyl)hex-3-en-2-yl]-2,3-dimethylcyclobutane.

Molecular Properties

Compound Name1-[4-ethyl-2-methyl-6-(2-methylcyclopropyl)hex-3-en-2-yl]-2,3-dimethylcyclobutane
PubChem CID90891808
Molecular FormulaC19H34
Molecular Weight262.48 g/mol
Exact Mass262.27
IUPAC Name1-[4-ethyl-2-methyl-6-(2-methylcyclopropyl)hex-3-en-2-yl]-2,3-dimethylcyclobutane
SMILESCCC(=CC(C)(C)C1CC(C)C1C)CCC1CC1C
InChIInChI=1S/C19H34/c1-7-16(8-9-17-10-14(17)3)12-19(5,6)18-11-13(2)15(18)4/h12-15,17-18H,7-11H2,1-6H3
InChIKeyYFLSGOPSISHZFJ-UHFFFAOYSA-N
XLogP6.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500262.48
LogP ≤ 56.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(-)-Caryophyllene
CID 5281515
3-Carene
CID 26049
(+)-3-Carene
CID 443156
(-)-Isocaryophyllene
CID 5281522
(-)-3-Carene
CID 442461
2-Carene, (+)-
CID 78249
Trans-alpha-Bergamotene
CID 6429302
2-Carene
CID 79044
alpha-CIS-BERGAMOTENE
CID 6429303
Caryophyllene,alpha + beta mixt.
CID 5354499
(E)-2-epi-beta-caryophyllene
CID 6429274
alpha-Bergamotene
CID 86608

Frequently Asked Questions

What is the IUPAC name of 1-[4-ethyl-2-methyl-6-(2-methylcyclopropyl)hex-3-en-2-yl]-2,3-dimethylcyclobutane?
The IUPAC name of 1-[4-ethyl-2-methyl-6-(2-methylcyclopropyl)hex-3-en-2-yl]-2,3-dimethylcyclobutane (CID 90891808) is 1-[4-ethyl-2-methyl-6-(2-methylcyclopropyl)hex-3-en-2-yl]-2,3-dimethylcyclobutane.
What is the SMILES notation for 1-[4-ethyl-2-methyl-6-(2-methylcyclopropyl)hex-3-en-2-yl]-2,3-dimethylcyclobutane?
The canonical SMILES for 1-[4-ethyl-2-methyl-6-(2-methylcyclopropyl)hex-3-en-2-yl]-2,3-dimethylcyclobutane is CCC(=CC(C)(C)C1CC(C)C1C)CCC1CC1C.
What is the InChIKey of 1-[4-ethyl-2-methyl-6-(2-methylcyclopropyl)hex-3-en-2-yl]-2,3-dimethylcyclobutane?
The InChIKey is YFLSGOPSISHZFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34/c1-7-16(8-9-17-10-14(17)3)12-19(5,6)18-11-13(2)15(18)4/h12-15,17-18H,7-11H2,1-6H3.
What are the key properties of 1-[4-ethyl-2-methyl-6-(2-methylcyclopropyl)hex-3-en-2-yl]-2,3-dimethylcyclobutane?
1-[4-ethyl-2-methyl-6-(2-methylcyclopropyl)hex-3-en-2-yl]-2,3-dimethylcyclobutane has a molecular weight of 262.48 g/mol, XLogP of 6.08, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-ethyl-2-methyl-6-(2-methylcyclopropyl)hex-3-en-2-yl]-2,3-dimethylcyclobutane is sourced from PubChem (CID 90891808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).