1-[3,5-dimethyl-1-(2-methylcyclopropyl)hexa-1,4-dien-2-yl]-2-methylcyclopropane

C16H26 — CID 90955421

IUPAC1-[3,5-dimethyl-1-(2-methylcyclopropyl)hexa-1,4-dien-2-yl]-2-methylcyclopropane
SMILESCC(C)=CC(C)C(=CC1CC1C)C1CC1C
InChIInChI=1S/C16H26/c1-10(2)6-12(4)16(15-8-13(15)5)9-14-7-11(14)3/h6,9,11-15H,7-8H2,1-5H3
InChIKeyOXDPQLHIQXHXBL-UHFFFAOYSA-N
MW218.38 g/mol
LogP4.83
Rot. Bonds4

About 1-[3,5-dimethyl-1-(2-methylcyclopropyl)hexa-1,4-dien-2-yl]-2-methylcyclopropane

1-[3,5-dimethyl-1-(2-methylcyclopropyl)hexa-1,4-dien-2-yl]-2-methylcyclopropane (PubChem CID 90955421) has the molecular formula C16H26 and a molecular weight of 218.38 g/mol. Its IUPAC name is 1-[3,5-dimethyl-1-(2-methylcyclopropyl)hexa-1,4-dien-2-yl]-2-methylcyclopropane.

Molecular Properties

Compound Name1-[3,5-dimethyl-1-(2-methylcyclopropyl)hexa-1,4-dien-2-yl]-2-methylcyclopropane
PubChem CID90955421
Molecular FormulaC16H26
Molecular Weight218.38 g/mol
Exact Mass218.20
IUPAC Name1-[3,5-dimethyl-1-(2-methylcyclopropyl)hexa-1,4-dien-2-yl]-2-methylcyclopropane
SMILESCC(C)=CC(C)C(=CC1CC1C)C1CC1C
InChIInChI=1S/C16H26/c1-10(2)6-12(4)16(15-8-13(15)5)9-14-7-11(14)3/h6,9,11-15H,7-8H2,1-5H3
InChIKeyOXDPQLHIQXHXBL-UHFFFAOYSA-N
XLogP4.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.38
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[3,5-dimethyl-1-(2-methylcyclopropyl)hexa-1,4-dien-2-yl]-2-methylcyclopropane?
The IUPAC name of 1-[3,5-dimethyl-1-(2-methylcyclopropyl)hexa-1,4-dien-2-yl]-2-methylcyclopropane (CID 90955421) is 1-[3,5-dimethyl-1-(2-methylcyclopropyl)hexa-1,4-dien-2-yl]-2-methylcyclopropane.
What is the SMILES notation for 1-[3,5-dimethyl-1-(2-methylcyclopropyl)hexa-1,4-dien-2-yl]-2-methylcyclopropane?
The canonical SMILES for 1-[3,5-dimethyl-1-(2-methylcyclopropyl)hexa-1,4-dien-2-yl]-2-methylcyclopropane is CC(C)=CC(C)C(=CC1CC1C)C1CC1C.
What is the InChIKey of 1-[3,5-dimethyl-1-(2-methylcyclopropyl)hexa-1,4-dien-2-yl]-2-methylcyclopropane?
The InChIKey is OXDPQLHIQXHXBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26/c1-10(2)6-12(4)16(15-8-13(15)5)9-14-7-11(14)3/h6,9,11-15H,7-8H2,1-5H3.
What are the key properties of 1-[3,5-dimethyl-1-(2-methylcyclopropyl)hexa-1,4-dien-2-yl]-2-methylcyclopropane?
1-[3,5-dimethyl-1-(2-methylcyclopropyl)hexa-1,4-dien-2-yl]-2-methylcyclopropane has a molecular weight of 218.38 g/mol, XLogP of 4.83, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-dimethyl-1-(2-methylcyclopropyl)hexa-1,4-dien-2-yl]-2-methylcyclopropane is sourced from PubChem (CID 90955421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).