4-(5,5-dimethylhex-1-en-2-yl)-1-methylbicyclo[4.1.0]heptane

C16H28 — CID 143264116

IUPAC4-(5,5-dimethylhex-1-en-2-yl)-1-methylbicyclo[4.1.0]heptane
SMILESC=C(CCC(C)(C)C)C1CCC2(C)CC2C1
InChIInChI=1S/C16H28/c1-12(6-8-15(2,3)4)13-7-9-16(5)11-14(16)10-13/h13-14H,1,6-11H2,2-5H3
InChIKeyORQRQUDRYUFYQP-UHFFFAOYSA-N
MW220.40 g/mol
LogP5.20
Rot. Bonds3

About 4-(5,5-dimethylhex-1-en-2-yl)-1-methylbicyclo[4.1.0]heptane

4-(5,5-dimethylhex-1-en-2-yl)-1-methylbicyclo[4.1.0]heptane (PubChem CID 143264116) has the molecular formula C16H28 and a molecular weight of 220.40 g/mol. Its IUPAC name is 4-(5,5-dimethylhex-1-en-2-yl)-1-methylbicyclo[4.1.0]heptane.

Molecular Properties

Compound Name4-(5,5-dimethylhex-1-en-2-yl)-1-methylbicyclo[4.1.0]heptane
PubChem CID143264116
Molecular FormulaC16H28
Molecular Weight220.40 g/mol
Exact Mass220.22
IUPAC Name4-(5,5-dimethylhex-1-en-2-yl)-1-methylbicyclo[4.1.0]heptane
SMILESC=C(CCC(C)(C)C)C1CCC2(C)CC2C1
InChIInChI=1S/C16H28/c1-12(6-8-15(2,3)4)13-7-9-16(5)11-14(16)10-13/h13-14H,1,6-11H2,2-5H3
InChIKeyORQRQUDRYUFYQP-UHFFFAOYSA-N
XLogP5.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500220.40
LogP ≤ 55.20
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

Pseudocarene
CID 121493613
a Bicycloelemene
CID 76419358
7,7-Dimethyl-3-methylene-bicyclo[4.1.0]heptane
CID 11129
1,1,2-Trimethyl-3,5-bis(1-methylethenyl)cyclohexane
CID 535217
Npc100888
CID 595370
Npc29553
CID 12312615
(-)-Bicycloelemene
CID 101973934
(1S,2S,3S,6S)-3-ethenyl-3,7,7-trimethyl-2-prop-1-en-2-ylbicyclo[4.1.0]heptane
CID 91746561
gamma-Maaliene
CID 21775138
Bicyclo(4.1.0)heptane, 3-ethenyl-3,7,7-trimethyl-2-(1-methylethenyl)-, (1R-(1alpha,2alpha,3beta,6alpha))-
CID 56842786
1-Ethyl-1-methyl-2,4-di(prop-1-en-2-yl)cyclohexane
CID 71404677
4,6b-dimethyl-2-propan-2-yl-1a,2,3,3a,6,6a-hexahydro-1H-cyclopropa[e]indene
CID 527107

Frequently Asked Questions

What is the IUPAC name of 4-(5,5-dimethylhex-1-en-2-yl)-1-methylbicyclo[4.1.0]heptane?
The IUPAC name of 4-(5,5-dimethylhex-1-en-2-yl)-1-methylbicyclo[4.1.0]heptane (CID 143264116) is 4-(5,5-dimethylhex-1-en-2-yl)-1-methylbicyclo[4.1.0]heptane.
What is the SMILES notation for 4-(5,5-dimethylhex-1-en-2-yl)-1-methylbicyclo[4.1.0]heptane?
The canonical SMILES for 4-(5,5-dimethylhex-1-en-2-yl)-1-methylbicyclo[4.1.0]heptane is C=C(CCC(C)(C)C)C1CCC2(C)CC2C1.
What is the InChIKey of 4-(5,5-dimethylhex-1-en-2-yl)-1-methylbicyclo[4.1.0]heptane?
The InChIKey is ORQRQUDRYUFYQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28/c1-12(6-8-15(2,3)4)13-7-9-16(5)11-14(16)10-13/h13-14H,1,6-11H2,2-5H3.
What are the key properties of 4-(5,5-dimethylhex-1-en-2-yl)-1-methylbicyclo[4.1.0]heptane?
4-(5,5-dimethylhex-1-en-2-yl)-1-methylbicyclo[4.1.0]heptane has a molecular weight of 220.40 g/mol, XLogP of 5.20, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,5-dimethylhex-1-en-2-yl)-1-methylbicyclo[4.1.0]heptane is sourced from PubChem (CID 143264116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).