ethane;2-methylnonane;2,3,3,4-tetramethylpent-1-ene

C21H46 — CID 178052039

IUPACethane;2-methylnonane;2,3,3,4-tetramethylpent-1-ene
SMILESC=C(C)C(C)(C)C(C)C.CC.CCCCCCCC(C)C
InChIInChI=1S/C10H22.C9H18.C2H6/c1-4-5-6-7-8-9-10(2)3;1-7(2)9(5,6)8(3)4;1-2/h10H,4-9H2,1-3H3;8H,1H2,2-6H3;1-2H3
InChIKeyCIASXWMPFBXVDB-UHFFFAOYSA-N
MW298.60 g/mol
LogP8.27
Rot. Bonds8

About ethane;2-methylnonane;2,3,3,4-tetramethylpent-1-ene

ethane;2-methylnonane;2,3,3,4-tetramethylpent-1-ene (PubChem CID 178052039) has the molecular formula C21H46 and a molecular weight of 298.60 g/mol. Its IUPAC name is ethane;2-methylnonane;2,3,3,4-tetramethylpent-1-ene.

Molecular Properties

Compound Nameethane;2-methylnonane;2,3,3,4-tetramethylpent-1-ene
PubChem CID178052039
Molecular FormulaC21H46
Molecular Weight298.60 g/mol
Exact Mass298.36
IUPAC Nameethane;2-methylnonane;2,3,3,4-tetramethylpent-1-ene
SMILESC=C(C)C(C)(C)C(C)C.CC.CCCCCCCC(C)C
InChIInChI=1S/C10H22.C9H18.C2H6/c1-4-5-6-7-8-9-10(2)3;1-7(2)9(5,6)8(3)4;1-2/h10H,4-9H2,1-3H3;8H,1H2,2-6H3;1-2H3
InChIKeyCIASXWMPFBXVDB-UHFFFAOYSA-N
XLogP8.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.60
LogP ≤ 58.27
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-methylnonane;2,3,3,4-tetramethylpent-1-ene 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

decane;ethene;hexane;2-methylheptane;2-methylprop-1-ene;nonane
CID 172567112
2,2-dimethylpropane;ethane;2-methylheptane
CID 143493212
ethane;2-methyloctane;pentane
CID 144527652
2-methylpentaoctacontane
CID 90745672
2-methyldecane
CID 23415
2-methyltetratriacontane
CID 14275207
2-methyloctacosane
CID 519147
2-methylnonadecane;propan-2-one
CID 141405407
hydroxylamine;2-methylnonadecane
CID 87902402
azane;2-methyloctadecane
CID 175414560
lithium;hydride;2-methylheptane
CID 173040195
2-methylnonane;heptahydrofluoride
CID 160801749

Frequently Asked Questions

What is the IUPAC name of ethane;2-methylnonane;2,3,3,4-tetramethylpent-1-ene?
The IUPAC name of ethane;2-methylnonane;2,3,3,4-tetramethylpent-1-ene (CID 178052039) is ethane;2-methylnonane;2,3,3,4-tetramethylpent-1-ene.
What is the SMILES notation for ethane;2-methylnonane;2,3,3,4-tetramethylpent-1-ene?
The canonical SMILES for ethane;2-methylnonane;2,3,3,4-tetramethylpent-1-ene is C=C(C)C(C)(C)C(C)C.CC.CCCCCCCC(C)C.
What is the InChIKey of ethane;2-methylnonane;2,3,3,4-tetramethylpent-1-ene?
The InChIKey is CIASXWMPFBXVDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22.C9H18.C2H6/c1-4-5-6-7-8-9-10(2)3;1-7(2)9(5,6)8(3)4;1-2/h10H,4-9H2,1-3H3;8H,1H2,2-6H3;1-2H3.
What are the key properties of ethane;2-methylnonane;2,3,3,4-tetramethylpent-1-ene?
ethane;2-methylnonane;2,3,3,4-tetramethylpent-1-ene has a molecular weight of 298.60 g/mol, XLogP of 8.27, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methylnonane;2,3,3,4-tetramethylpent-1-ene is sourced from PubChem (CID 178052039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).