ethane;2-ethyl-1-heptyl-3-methylcyclohexene;propane

C23H50 — CID 143434835

IUPACethane;2-ethyl-1-heptyl-3-methylcyclohexene;propane
SMILESCC.CC.CCC.CCCCCCCC1=C(CC)C(C)CCC1
InChIInChI=1S/C16H30.C3H8.2C2H6/c1-4-6-7-8-9-12-15-13-10-11-14(3)16(15)5-2;1-3-2;2*1-2/h14H,4-13H2,1-3H3;3H2,1-2H3;2*1-2H3
InChIKeySKBCBVLLQYTKRU-UHFFFAOYSA-N
MW326.65 g/mol
LogP9.34
Rot. Bonds7

About ethane;2-ethyl-1-heptyl-3-methylcyclohexene;propane

ethane;2-ethyl-1-heptyl-3-methylcyclohexene;propane (PubChem CID 143434835) has the molecular formula C23H50 and a molecular weight of 326.65 g/mol. Its IUPAC name is ethane;2-ethyl-1-heptyl-3-methylcyclohexene;propane.

Molecular Properties

Compound Nameethane;2-ethyl-1-heptyl-3-methylcyclohexene;propane
PubChem CID143434835
Molecular FormulaC23H50
Molecular Weight326.65 g/mol
Exact Mass326.39
IUPAC Nameethane;2-ethyl-1-heptyl-3-methylcyclohexene;propane
SMILESCC.CC.CCC.CCCCCCCC1=C(CC)C(C)CCC1
InChIInChI=1S/C16H30.C3H8.2C2H6/c1-4-6-7-8-9-12-15-13-10-11-14(3)16(15)5-2;1-3-2;2*1-2/h14H,4-13H2,1-3H3;3H2,1-2H3;2*1-2H3
InChIKeySKBCBVLLQYTKRU-UHFFFAOYSA-N
XLogP9.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.65
LogP ≤ 59.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze ethane;2-ethyl-1-heptyl-3-methylcyclohexene;propane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,2-dihexylcyclohexene
CID 19795043
(1Z)-1,2-dipentylcyclononene
CID 134981785
ethane;tris(methylcyclohexane);octane
CID 142912940
2,6-dibromo-5-dodecyl-3,4-dihydro-2H-thiopyran;ethane
CID 145013688
2-methyl-6-undecyl-2,3,4,5-tetrahydropyridine
CID 15706651
1-methyl-2-nonylidenecyclopentane
CID 123463809
(3S)-1-tert-butyl-2-ethyl-3-methylcyclohexene
CID 142020116
1,2-diheptylcyclopropene
CID 557048
1-butyl-2-ethylcyclopentene
CID 154086983
1-pentyl-2-(2-pentylcyclohexen-1-yl)oxycyclohexene
CID 21413591
(2-hexylcyclopenten-1-yl)-trimethylsilane
CID 553181
1-butyl-2-hexylcyclopropene
CID 134897823

Frequently Asked Questions

What is the IUPAC name of ethane;2-ethyl-1-heptyl-3-methylcyclohexene;propane?
The IUPAC name of ethane;2-ethyl-1-heptyl-3-methylcyclohexene;propane (CID 143434835) is ethane;2-ethyl-1-heptyl-3-methylcyclohexene;propane.
What is the SMILES notation for ethane;2-ethyl-1-heptyl-3-methylcyclohexene;propane?
The canonical SMILES for ethane;2-ethyl-1-heptyl-3-methylcyclohexene;propane is CC.CC.CCC.CCCCCCCC1=C(CC)C(C)CCC1.
What is the InChIKey of ethane;2-ethyl-1-heptyl-3-methylcyclohexene;propane?
The InChIKey is SKBCBVLLQYTKRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30.C3H8.2C2H6/c1-4-6-7-8-9-12-15-13-10-11-14(3)16(15)5-2;1-3-2;2*1-2/h14H,4-13H2,1-3H3;3H2,1-2H3;2*1-2H3.
What are the key properties of ethane;2-ethyl-1-heptyl-3-methylcyclohexene;propane?
ethane;2-ethyl-1-heptyl-3-methylcyclohexene;propane has a molecular weight of 326.65 g/mol, XLogP of 9.34, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-ethyl-1-heptyl-3-methylcyclohexene;propane is sourced from PubChem (CID 143434835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).