1,1-dimethyl-2-(4-methyl-2-methylidenepent-4-enyl)cyclopropane

C12H20 — CID 535149

IUPAC1,1-dimethyl-2-(4-methyl-2-methylidenepent-4-enyl)cyclopropane
SMILESC=C(C)CC(=C)CC1CC1(C)C
InChIInChI=1S/C12H20/c1-9(2)6-10(3)7-11-8-12(11,4)5/h11H,1,3,6-8H2,2,4-5H3
InChIKeyYGLKGAAKYQSIQN-UHFFFAOYSA-N
MW164.29 g/mol
LogP3.94
Rot. Bonds4

About 1,1-dimethyl-2-(4-methyl-2-methylidenepent-4-enyl)cyclopropane

1,1-dimethyl-2-(4-methyl-2-methylidenepent-4-enyl)cyclopropane (PubChem CID 535149) has the molecular formula C12H20 and a molecular weight of 164.29 g/mol. Its IUPAC name is 1,1-dimethyl-2-(4-methyl-2-methylidenepent-4-enyl)cyclopropane.

Molecular Properties

Compound Name1,1-dimethyl-2-(4-methyl-2-methylidenepent-4-enyl)cyclopropane
PubChem CID535149
Molecular FormulaC12H20
Molecular Weight164.29 g/mol
Exact Mass164.16
IUPAC Name1,1-dimethyl-2-(4-methyl-2-methylidenepent-4-enyl)cyclopropane
SMILESC=C(C)CC(=C)CC1CC1(C)C
InChIInChI=1S/C12H20/c1-9(2)6-10(3)7-11-8-12(11,4)5/h11H,1,3,6-8H2,2,4-5H3
InChIKeyYGLKGAAKYQSIQN-UHFFFAOYSA-N
XLogP3.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.29
LogP ≤ 53.94
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

3-Carene
CID 26049
Sabinene
CID 18818
(+)-3-Carene
CID 443156
(+)-Sabinene
CID 10887971
(-)-3-Carene
CID 442461
2-Carene, (+)-
CID 78249
2-Carene
CID 79044
(-)-Sabinene
CID 11051711
Pseudocarene
CID 121493613
Bicyclogermacrene
CID 13894537
Casbene
CID 5280437
Sesquithujene
CID 25147318

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-2-(4-methyl-2-methylidenepent-4-enyl)cyclopropane?
The IUPAC name of 1,1-dimethyl-2-(4-methyl-2-methylidenepent-4-enyl)cyclopropane (CID 535149) is 1,1-dimethyl-2-(4-methyl-2-methylidenepent-4-enyl)cyclopropane.
What is the SMILES notation for 1,1-dimethyl-2-(4-methyl-2-methylidenepent-4-enyl)cyclopropane?
The canonical SMILES for 1,1-dimethyl-2-(4-methyl-2-methylidenepent-4-enyl)cyclopropane is C=C(C)CC(=C)CC1CC1(C)C.
What is the InChIKey of 1,1-dimethyl-2-(4-methyl-2-methylidenepent-4-enyl)cyclopropane?
The InChIKey is YGLKGAAKYQSIQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20/c1-9(2)6-10(3)7-11-8-12(11,4)5/h11H,1,3,6-8H2,2,4-5H3.
What are the key properties of 1,1-dimethyl-2-(4-methyl-2-methylidenepent-4-enyl)cyclopropane?
1,1-dimethyl-2-(4-methyl-2-methylidenepent-4-enyl)cyclopropane has a molecular weight of 164.29 g/mol, XLogP of 3.94, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-2-(4-methyl-2-methylidenepent-4-enyl)cyclopropane is sourced from PubChem (CID 535149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).