1-ethyl-4-methyl-3-methylidenecyclopentene;propane

C12H22 — CID 143374354

IUPAC1-ethyl-4-methyl-3-methylidenecyclopentene;propane
SMILESC=C1C=C(CC)CC1C.CCC
InChIInChI=1S/C9H14.C3H8/c1-4-9-5-7(2)8(3)6-9;1-3-2/h5,8H,2,4,6H2,1,3H3;3H2,1-2H3
InChIKeyWHMHCCSCTMTRPY-UHFFFAOYSA-N
MW166.31 g/mol
LogP4.34
Rot. Bonds1

About 1-ethyl-4-methyl-3-methylidenecyclopentene;propane

1-ethyl-4-methyl-3-methylidenecyclopentene;propane (PubChem CID 143374354) has the molecular formula C12H22 and a molecular weight of 166.31 g/mol. Its IUPAC name is 1-ethyl-4-methyl-3-methylidenecyclopentene;propane.

Molecular Properties

Compound Name1-ethyl-4-methyl-3-methylidenecyclopentene;propane
PubChem CID143374354
Molecular FormulaC12H22
Molecular Weight166.31 g/mol
Exact Mass166.17
IUPAC Name1-ethyl-4-methyl-3-methylidenecyclopentene;propane
SMILESC=C1C=C(CC)CC1C.CCC
InChIInChI=1S/C9H14.C3H8/c1-4-9-5-7(2)8(3)6-9;1-3-2/h5,8H,2,4,6H2,1,3H3;3H2,1-2H3
InChIKeyWHMHCCSCTMTRPY-UHFFFAOYSA-N
XLogP4.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.31
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-Methyl-4-Prop-1-En-2-Ylcyclohexene
CID 22311
(+)-Limonene
CID 440917
Limonene, (-)-
CID 439250
Alpha-Terpinene
CID 7462
Beta-Phellandrene
CID 11142
Beta-Bisabolene
CID 10104370
Germacrene D
CID 5317570
alpha-Bisabolene
CID 86597
(-)-beta-Phellandrene
CID 443161
Isoterpinolene
CID 102443
(+)-germacrene A
CID 9548705
1-Methyl-4-(6-Methylhepta-1,5-Dien-2-Yl)Cyclohexene
CID 403919

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-methyl-3-methylidenecyclopentene;propane?
The IUPAC name of 1-ethyl-4-methyl-3-methylidenecyclopentene;propane (CID 143374354) is 1-ethyl-4-methyl-3-methylidenecyclopentene;propane.
What is the SMILES notation for 1-ethyl-4-methyl-3-methylidenecyclopentene;propane?
The canonical SMILES for 1-ethyl-4-methyl-3-methylidenecyclopentene;propane is C=C1C=C(CC)CC1C.CCC.
What is the InChIKey of 1-ethyl-4-methyl-3-methylidenecyclopentene;propane?
The InChIKey is WHMHCCSCTMTRPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14.C3H8/c1-4-9-5-7(2)8(3)6-9;1-3-2/h5,8H,2,4,6H2,1,3H3;3H2,1-2H3.
What are the key properties of 1-ethyl-4-methyl-3-methylidenecyclopentene;propane?
1-ethyl-4-methyl-3-methylidenecyclopentene;propane has a molecular weight of 166.31 g/mol, XLogP of 4.34, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-methyl-3-methylidenecyclopentene;propane is sourced from PubChem (CID 143374354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).