ethane;3-methyl-3-propan-2-ylhept-1-ene

C13H28 — CID 162730739

IUPACethane;3-methyl-3-propan-2-ylhept-1-ene
SMILESC=CC(C)(CCCC)C(C)C.CC
InChIInChI=1S/C11H22.C2H6/c1-6-8-9-11(5,7-2)10(3)4;1-2/h7,10H,2,6,8-9H2,1,3-5H3;1-2H3
InChIKeyLSSDJKVRRNMZMN-UHFFFAOYSA-N
MW184.37 g/mol
LogP5.05
Rot. Bonds5

About ethane;3-methyl-3-propan-2-ylhept-1-ene

ethane;3-methyl-3-propan-2-ylhept-1-ene (PubChem CID 162730739) has the molecular formula C13H28 and a molecular weight of 184.37 g/mol. Its IUPAC name is ethane;3-methyl-3-propan-2-ylhept-1-ene.

Molecular Properties

Compound Nameethane;3-methyl-3-propan-2-ylhept-1-ene
PubChem CID162730739
Molecular FormulaC13H28
Molecular Weight184.37 g/mol
Exact Mass184.22
IUPAC Nameethane;3-methyl-3-propan-2-ylhept-1-ene
SMILESC=CC(C)(CCCC)C(C)C.CC
InChIInChI=1S/C11H22.C2H6/c1-6-8-9-11(5,7-2)10(3)4;1-2/h7,10H,2,6,8-9H2,1,3-5H3;1-2H3
InChIKeyLSSDJKVRRNMZMN-UHFFFAOYSA-N
XLogP5.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500184.37
LogP ≤ 55.05
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

3,5,5-trimethyl-3-propan-2-ylhex-1-ene
CID 123318417
2,2-dimethylhexane;tris(prop-1-ene)
CID 160899116
3-methylbut-1-ene;1,1,1-trifluoropentane
CID 177138498
ethane;2,3,3-trimethyloctane
CID 142049944
2,2-dimethylhexane;2,4-dimethylpentane;ethane
CID 145269635
(2R)-3-ethyl-3-methylpent-4-en-2-amine
CID 143354853
(3R,4S)-3-ethyl-3-methyldec-1-en-4-ol
CID 100923980
3-(bromomethyl)-3-methyldodec-1-ene
CID 102642280
(3R)-3-methyl-3-propan-2-ylheptan-2-ol
CID 126716836
(2R)-2-[(3R)-hex-1-en-3-yl]-2-methylheptanal
CID 101243076
7-ethenyl-6-ethyl-3,5,6,7-tetramethylundecane
CID 123319069
6-methyl-6-propan-2-ylundecane
CID 87930599

Frequently Asked Questions

What is the IUPAC name of ethane;3-methyl-3-propan-2-ylhept-1-ene?
The IUPAC name of ethane;3-methyl-3-propan-2-ylhept-1-ene (CID 162730739) is ethane;3-methyl-3-propan-2-ylhept-1-ene.
What is the SMILES notation for ethane;3-methyl-3-propan-2-ylhept-1-ene?
The canonical SMILES for ethane;3-methyl-3-propan-2-ylhept-1-ene is C=CC(C)(CCCC)C(C)C.CC.
What is the InChIKey of ethane;3-methyl-3-propan-2-ylhept-1-ene?
The InChIKey is LSSDJKVRRNMZMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22.C2H6/c1-6-8-9-11(5,7-2)10(3)4;1-2/h7,10H,2,6,8-9H2,1,3-5H3;1-2H3.
What are the key properties of ethane;3-methyl-3-propan-2-ylhept-1-ene?
ethane;3-methyl-3-propan-2-ylhept-1-ene has a molecular weight of 184.37 g/mol, XLogP of 5.05, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methyl-3-propan-2-ylhept-1-ene is sourced from PubChem (CID 162730739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).