methane;2-methylpent-1-ene;bis(prop-1-ene)

C15H36 — CID 159090973

IUPACmethane;2-methylpent-1-ene;bis(prop-1-ene)
SMILESC.C.C.C=C(C)CCC.C=CC.C=CC
InChIInChI=1S/C6H12.2C3H6.3CH4/c1-4-5-6(2)3;2*1-3-2;;;/h2,4-5H2,1,3H3;2*3H,1H2,2H3;3*1H4
InChIKeyKCAZFDRGNGXSIZ-UHFFFAOYSA-N
MW216.45 g/mol
LogP6.66
Rot. Bonds2

About methane;2-methylpent-1-ene;bis(prop-1-ene)

methane;2-methylpent-1-ene;bis(prop-1-ene) (PubChem CID 159090973) has the molecular formula C15H36 and a molecular weight of 216.45 g/mol. Its IUPAC name is methane;2-methylpent-1-ene;bis(prop-1-ene).

Molecular Properties

Compound Namemethane;2-methylpent-1-ene;bis(prop-1-ene)
PubChem CID159090973
Molecular FormulaC15H36
Molecular Weight216.45 g/mol
Exact Mass216.28
IUPAC Namemethane;2-methylpent-1-ene;bis(prop-1-ene)
SMILESC.C.C.C=C(C)CCC.C=CC.C=CC
InChIInChI=1S/C6H12.2C3H6.3CH4/c1-4-5-6(2)3;2*1-3-2;;;/h2,4-5H2,1,3H3;2*3H,1H2,2H3;3*1H4
InChIKeyKCAZFDRGNGXSIZ-UHFFFAOYSA-N
XLogP6.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500216.45
LogP ≤ 56.66
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

methane;hexakis(2-methylpent-1-ene)
CID 175346690
sodium;hydride;2-methylpent-1-ene
CID 174251970
bis(but-1-ene);chloroethene;ethene;2-methylbut-1-ene;2-methylpent-1-ene;2-methylprop-1-ene;prop-1-ene
CID 158851979
2-methylhex-1-ene
CID 158402499
cyclopentene;2-methylpent-1-ene
CID 158486939
(3E)-3-ethylidene-2-methylhex-1-ene
CID 143524978
(5Z)-2,5-dimethylhepta-1,5-diene;ethane;propane
CID 144526797
(4Z)-4-ethylidenehept-1-ene
CID 12841273
methane;(Z)-3-methylpent-2-ene;prop-1-ene
CID 142993133
methane;bis(2-methylbut-1-ene)
CID 160529780
(6E)-2,7-dimethyldeca-1,6-diene
CID 173073155
but-2-ene;2-methylbut-1-ene
CID 160732246

Frequently Asked Questions

What is the IUPAC name of methane;2-methylpent-1-ene;bis(prop-1-ene)?
The IUPAC name of methane;2-methylpent-1-ene;bis(prop-1-ene) (CID 159090973) is methane;2-methylpent-1-ene;bis(prop-1-ene).
What is the SMILES notation for methane;2-methylpent-1-ene;bis(prop-1-ene)?
The canonical SMILES for methane;2-methylpent-1-ene;bis(prop-1-ene) is C.C.C.C=C(C)CCC.C=CC.C=CC.
What is the InChIKey of methane;2-methylpent-1-ene;bis(prop-1-ene)?
The InChIKey is KCAZFDRGNGXSIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12.2C3H6.3CH4/c1-4-5-6(2)3;2*1-3-2;;;/h2,4-5H2,1,3H3;2*3H,1H2,2H3;3*1H4.
What are the key properties of methane;2-methylpent-1-ene;bis(prop-1-ene)?
methane;2-methylpent-1-ene;bis(prop-1-ene) has a molecular weight of 216.45 g/mol, XLogP of 6.66, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methane;2-methylpent-1-ene;bis(prop-1-ene) is sourced from PubChem (CID 159090973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).