2,2-dimethylpropane;(Z)-3-methylhex-3-ene;2-methylpropane

C16H36 — CID 170712386

IUPAC2,2-dimethylpropane;(Z)-3-methylhex-3-ene;2-methylpropane
SMILESCC(C)(C)C.CC(C)C.CC/C=C(/C)CC
InChIInChI=1S/C7H14.C5H12.C4H10/c1-4-6-7(3)5-2;1-5(2,3)4;1-4(2)3/h6H,4-5H2,1-3H3;1-4H3;4H,1-3H3/b7-6-;;
InChIKeyPEMLJSGVUHEIOX-AQTVDGORSA-N
MW228.46 g/mol
LogP6.47
Rot. Bonds2

About 2,2-dimethylpropane;(Z)-3-methylhex-3-ene;2-methylpropane

2,2-dimethylpropane;(Z)-3-methylhex-3-ene;2-methylpropane (PubChem CID 170712386) has the molecular formula C16H36 and a molecular weight of 228.46 g/mol. Its IUPAC name is 2,2-dimethylpropane;(Z)-3-methylhex-3-ene;2-methylpropane.

Molecular Properties

Compound Name2,2-dimethylpropane;(Z)-3-methylhex-3-ene;2-methylpropane
PubChem CID170712386
Molecular FormulaC16H36
Molecular Weight228.46 g/mol
Exact Mass228.28
IUPAC Name2,2-dimethylpropane;(Z)-3-methylhex-3-ene;2-methylpropane
SMILESCC(C)(C)C.CC(C)C.CC/C=C(/C)CC
InChIInChI=1S/C7H14.C5H12.C4H10/c1-4-6-7(3)5-2;1-5(2,3)4;1-4(2)3/h6H,4-5H2,1-3H3;1-4H3;4H,1-3H3/b7-6-;;
InChIKeyPEMLJSGVUHEIOX-AQTVDGORSA-N
XLogP6.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500228.46
LogP ≤ 56.47
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;(E)-3-methylhex-3-ene
CID 157350431
methane;(Z)-3-methylhex-3-ene
CID 168892321
2,3-dimethylpent-1-ene;3,3-dimethylpent-1-ene;methane;(Z)-3-methylhex-3-ene
CID 159832384
3-methylpent-2-en-1-amine
CID 76997051
(3E,7E,11E)-3,7,11-trimethyltetradeca-3,7,11-triene;(6E,10E)-2,6,10-trimethyltrideca-2,6,10-triene
CID 160792784
ethane;(E)-3-methylpent-2-en-1-amine
CID 143325002
(Z)-5-methylhept-4-en-2-amine
CID 143746463
(E)-3,6,7-trimethyloct-3-ene
CID 167475963
3,5-dimethylcyclopentene;(Z)-3-methylhex-3-ene;(E)-3-methylhex-3-ene
CID 157050513
3,5-dimethylocta-3,5-diene
CID 54471932
(E)-4,8-dimethylnon-3-ene
CID 22743489
2,3,5-trimethylocta-1,5-diene
CID 123730712

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpropane;(Z)-3-methylhex-3-ene;2-methylpropane?
The IUPAC name of 2,2-dimethylpropane;(Z)-3-methylhex-3-ene;2-methylpropane (CID 170712386) is 2,2-dimethylpropane;(Z)-3-methylhex-3-ene;2-methylpropane.
What is the SMILES notation for 2,2-dimethylpropane;(Z)-3-methylhex-3-ene;2-methylpropane?
The canonical SMILES for 2,2-dimethylpropane;(Z)-3-methylhex-3-ene;2-methylpropane is CC(C)(C)C.CC(C)C.CC/C=C(/C)CC.
What is the InChIKey of 2,2-dimethylpropane;(Z)-3-methylhex-3-ene;2-methylpropane?
The InChIKey is PEMLJSGVUHEIOX-AQTVDGORSA-N. The full InChI is InChI=1S/C7H14.C5H12.C4H10/c1-4-6-7(3)5-2;1-5(2,3)4;1-4(2)3/h6H,4-5H2,1-3H3;1-4H3;4H,1-3H3/b7-6-;;.
What are the key properties of 2,2-dimethylpropane;(Z)-3-methylhex-3-ene;2-methylpropane?
2,2-dimethylpropane;(Z)-3-methylhex-3-ene;2-methylpropane has a molecular weight of 228.46 g/mol, XLogP of 6.47, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpropane;(Z)-3-methylhex-3-ene;2-methylpropane is sourced from PubChem (CID 170712386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).