ethane;ethene;1,1,3-trimethyl-5-methylidenecyclohexane

C16H34 — CID 142048618

IUPACethane;ethene;1,1,3-trimethyl-5-methylidenecyclohexane
SMILESC=C.C=C1CC(C)CC(C)(C)C1.CC.CC
InChIInChI=1S/C10H18.2C2H6.C2H4/c1-8-5-9(2)7-10(3,4)6-8;3*1-2/h9H,1,5-7H2,2-4H3;2*1-2H3;1-2H2
InChIKeyPSDOYQMHOSSTAN-UHFFFAOYSA-N
MW226.45 g/mol
LogP6.24
Rot. Bonds

About ethane;ethene;1,1,3-trimethyl-5-methylidenecyclohexane

ethane;ethene;1,1,3-trimethyl-5-methylidenecyclohexane (PubChem CID 142048618) has the molecular formula C16H34 and a molecular weight of 226.45 g/mol. Its IUPAC name is ethane;ethene;1,1,3-trimethyl-5-methylidenecyclohexane.

Molecular Properties

Compound Nameethane;ethene;1,1,3-trimethyl-5-methylidenecyclohexane
PubChem CID142048618
Molecular FormulaC16H34
Molecular Weight226.45 g/mol
Exact Mass226.27
IUPAC Nameethane;ethene;1,1,3-trimethyl-5-methylidenecyclohexane
SMILESC=C.C=C1CC(C)CC(C)(C)C1.CC.CC
InChIInChI=1S/C10H18.2C2H6.C2H4/c1-8-5-9(2)7-10(3,4)6-8;3*1-2/h9H,1,5-7H2,2-4H3;2*1-2H3;1-2H2
InChIKeyPSDOYQMHOSSTAN-UHFFFAOYSA-N
XLogP6.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500226.45
LogP ≤ 56.24
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 ethane;ethene;1,1,3-trimethyl-5-methylidenecyclohexane?
The IUPAC name of ethane;ethene;1,1,3-trimethyl-5-methylidenecyclohexane (CID 142048618) is ethane;ethene;1,1,3-trimethyl-5-methylidenecyclohexane.
What is the SMILES notation for ethane;ethene;1,1,3-trimethyl-5-methylidenecyclohexane?
The canonical SMILES for ethane;ethene;1,1,3-trimethyl-5-methylidenecyclohexane is C=C.C=C1CC(C)CC(C)(C)C1.CC.CC.
What is the InChIKey of ethane;ethene;1,1,3-trimethyl-5-methylidenecyclohexane?
The InChIKey is PSDOYQMHOSSTAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18.2C2H6.C2H4/c1-8-5-9(2)7-10(3,4)6-8;3*1-2/h9H,1,5-7H2,2-4H3;2*1-2H3;1-2H2.
What are the key properties of ethane;ethene;1,1,3-trimethyl-5-methylidenecyclohexane?
ethane;ethene;1,1,3-trimethyl-5-methylidenecyclohexane has a molecular weight of 226.45 g/mol, XLogP of 6.24, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethene;1,1,3-trimethyl-5-methylidenecyclohexane is sourced from PubChem (CID 142048618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).