1-(1,2-dimethylcycloprop-2-en-1-yl)ethylidenecycloheptane

C14H22 — CID 123402634

IUPAC1-(1,2-dimethylcycloprop-2-en-1-yl)ethylidenecycloheptane
SMILESCC1=CC1(C)C(C)=C1CCCCCC1
InChIInChI=1S/C14H22/c1-11-10-14(11,3)12(2)13-8-6-4-5-7-9-13/h10H,4-9H2,1-3H3
InChIKeyXJGOSUBFQZZNRF-UHFFFAOYSA-N
MW190.33 g/mol
LogP4.62
Rot. Bonds1

About 1-(1,2-dimethylcycloprop-2-en-1-yl)ethylidenecycloheptane

1-(1,2-dimethylcycloprop-2-en-1-yl)ethylidenecycloheptane (PubChem CID 123402634) has the molecular formula C14H22 and a molecular weight of 190.33 g/mol. Its IUPAC name is 1-(1,2-dimethylcycloprop-2-en-1-yl)ethylidenecycloheptane.

Molecular Properties

Compound Name1-(1,2-dimethylcycloprop-2-en-1-yl)ethylidenecycloheptane
PubChem CID123402634
Molecular FormulaC14H22
Molecular Weight190.33 g/mol
Exact Mass190.17
IUPAC Name1-(1,2-dimethylcycloprop-2-en-1-yl)ethylidenecycloheptane
SMILESCC1=CC1(C)C(C)=C1CCCCCC1
InChIInChI=1S/C14H22/c1-11-10-14(11,3)12(2)13-8-6-4-5-7-9-13/h10H,4-9H2,1-3H3
InChIKeyXJGOSUBFQZZNRF-UHFFFAOYSA-N
XLogP4.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.33
LogP ≤ 54.62
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

Cyclohexene, trimethyl-
CID 79032
Npc36747
CID 5369064
Cyclohexene, 1,4,4-trimethyl-
CID 137927
Ethylidenecycloheptane
CID 139168
2,5,5-Trimethyl-2-heptene
CID 91380773
(1Z,5Z)-8,8-dimethyl-9-methylidenecycloundeca-1,5-diene
CID 21160273
2,3,3-Trimethylcyclohexene
CID 522358
3,4,4-Trimethylhex-2-ene
CID 521474
3,5,5-Trimethylhept-2-ene
CID 53752737
1,5,5-Trimethylcycloheptene
CID 13679846
1,4,4-Trimethylcycloheptene
CID 13679852
8,8-Dimethyl-9-methylene-1,5-cycloundecadiene
CID 564365

Frequently Asked Questions

What is the IUPAC name of 1-(1,2-dimethylcycloprop-2-en-1-yl)ethylidenecycloheptane?
The IUPAC name of 1-(1,2-dimethylcycloprop-2-en-1-yl)ethylidenecycloheptane (CID 123402634) is 1-(1,2-dimethylcycloprop-2-en-1-yl)ethylidenecycloheptane.
What is the SMILES notation for 1-(1,2-dimethylcycloprop-2-en-1-yl)ethylidenecycloheptane?
The canonical SMILES for 1-(1,2-dimethylcycloprop-2-en-1-yl)ethylidenecycloheptane is CC1=CC1(C)C(C)=C1CCCCCC1.
What is the InChIKey of 1-(1,2-dimethylcycloprop-2-en-1-yl)ethylidenecycloheptane?
The InChIKey is XJGOSUBFQZZNRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22/c1-11-10-14(11,3)12(2)13-8-6-4-5-7-9-13/h10H,4-9H2,1-3H3.
What are the key properties of 1-(1,2-dimethylcycloprop-2-en-1-yl)ethylidenecycloheptane?
1-(1,2-dimethylcycloprop-2-en-1-yl)ethylidenecycloheptane has a molecular weight of 190.33 g/mol, XLogP of 4.62, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-dimethylcycloprop-2-en-1-yl)ethylidenecycloheptane is sourced from PubChem (CID 123402634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).