2,3-dimethylpent-1-ene;3,3-dimethylpent-1-ene;methane;(Z)-3-methylhex-3-ene

C25H58 — CID 159832384

IUPAC2,3-dimethylpent-1-ene;3,3-dimethylpent-1-ene;methane;(Z)-3-methylhex-3-ene
SMILESC.C.C.C.C=C(C)C(C)CC.C=CC(C)(C)CC.CC/C=C(/C)CC
InChIInChI=1S/3C7H14.4CH4/c1-5-7(3,4)6-2;1-5-7(4)6(2)3;1-4-6-7(3)5-2;;;;/h5H,1,6H2,2-4H3;7H,2,5H2,1,3-4H3;6H,4-5H2,1-3H3;4*1H4/b;;7-6-;;;;
InChIKeyNNPSNTRITUDQOV-QKAXPGQZSA-N
MW358.74 g/mol
LogP10.51
Rot. Bonds6

About 2,3-dimethylpent-1-ene;3,3-dimethylpent-1-ene;methane;(Z)-3-methylhex-3-ene

2,3-dimethylpent-1-ene;3,3-dimethylpent-1-ene;methane;(Z)-3-methylhex-3-ene (PubChem CID 159832384) has the molecular formula C25H58 and a molecular weight of 358.74 g/mol. Its IUPAC name is 2,3-dimethylpent-1-ene;3,3-dimethylpent-1-ene;methane;(Z)-3-methylhex-3-ene.

Molecular Properties

Compound Name2,3-dimethylpent-1-ene;3,3-dimethylpent-1-ene;methane;(Z)-3-methylhex-3-ene
PubChem CID159832384
Molecular FormulaC25H58
Molecular Weight358.74 g/mol
Exact Mass358.45
IUPAC Name2,3-dimethylpent-1-ene;3,3-dimethylpent-1-ene;methane;(Z)-3-methylhex-3-ene
SMILESC.C.C.C.C=C(C)C(C)CC.C=CC(C)(C)CC.CC/C=C(/C)CC
InChIInChI=1S/3C7H14.4CH4/c1-5-7(3,4)6-2;1-5-7(4)6(2)3;1-4-6-7(3)5-2;;;;/h5H,1,6H2,2-4H3;7H,2,5H2,1,3-4H3;6H,4-5H2,1-3H3;4*1H4/b;;7-6-;;;;
InChIKeyNNPSNTRITUDQOV-QKAXPGQZSA-N
XLogP10.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.74
LogP ≤ 510.51
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

2,3-dimethylpent-1-ene;3,3-dimethylpent-1-ene
CID 158024808
2,2-dimethylpropane;(Z)-3-methylhex-3-ene;2-methylpropane
CID 170712386
methane;(E)-3-methylhex-3-ene
CID 157350431
methane;(Z)-3-methylhex-3-ene
CID 168892321
2,3,5-trimethylocta-1,5-diene
CID 123730712
2,3-dimethylpent-1-ene;ethane
CID 143286891
3,3-dimethylpent-1-ene;ethane
CID 142059460
but-1-ene;3,3-dimethylpent-1-ene;ethane;ethene
CID 142056608
(2E)-3,5,5-trimethylhepta-2,6-dien-1-amine
CID 126733231
(Z)-4,5-dimethylhept-3-ene
CID 142511472
(3S,6E)-3,7-dimethylnona-1,6-dien-3-ol
CID 38988672
3-methylpent-2-en-1-amine
CID 76997051

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylpent-1-ene;3,3-dimethylpent-1-ene;methane;(Z)-3-methylhex-3-ene?
The IUPAC name of 2,3-dimethylpent-1-ene;3,3-dimethylpent-1-ene;methane;(Z)-3-methylhex-3-ene (CID 159832384) is 2,3-dimethylpent-1-ene;3,3-dimethylpent-1-ene;methane;(Z)-3-methylhex-3-ene.
What is the SMILES notation for 2,3-dimethylpent-1-ene;3,3-dimethylpent-1-ene;methane;(Z)-3-methylhex-3-ene?
The canonical SMILES for 2,3-dimethylpent-1-ene;3,3-dimethylpent-1-ene;methane;(Z)-3-methylhex-3-ene is C.C.C.C.C=C(C)C(C)CC.C=CC(C)(C)CC.CC/C=C(/C)CC.
What is the InChIKey of 2,3-dimethylpent-1-ene;3,3-dimethylpent-1-ene;methane;(Z)-3-methylhex-3-ene?
The InChIKey is NNPSNTRITUDQOV-QKAXPGQZSA-N. The full InChI is InChI=1S/3C7H14.4CH4/c1-5-7(3,4)6-2;1-5-7(4)6(2)3;1-4-6-7(3)5-2;;;;/h5H,1,6H2,2-4H3;7H,2,5H2,1,3-4H3;6H,4-5H2,1-3H3;4*1H4/b;;7-6-;;;;.
What are the key properties of 2,3-dimethylpent-1-ene;3,3-dimethylpent-1-ene;methane;(Z)-3-methylhex-3-ene?
2,3-dimethylpent-1-ene;3,3-dimethylpent-1-ene;methane;(Z)-3-methylhex-3-ene has a molecular weight of 358.74 g/mol, XLogP of 10.51, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylpent-1-ene;3,3-dimethylpent-1-ene;methane;(Z)-3-methylhex-3-ene is sourced from PubChem (CID 159832384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).