(Z)-3,5-dimethyl-4-methylidenehex-2-ene;propane

C12H24 — CID 145319399

IUPAC(Z)-3,5-dimethyl-4-methylidenehex-2-ene;propane
SMILESC=C(/C(C)=C\C)C(C)C.CCC
InChIInChI=1S/C9H16.C3H8/c1-6-8(4)9(5)7(2)3;1-3-2/h6-7H,5H2,1-4H3;3H2,1-2H3/b8-6-;
InChIKeySMLQZVKBXIJILG-PHZXCRFESA-N
MW168.32 g/mol
LogP4.58
Rot. Bonds2

About (Z)-3,5-dimethyl-4-methylidenehex-2-ene;propane

(Z)-3,5-dimethyl-4-methylidenehex-2-ene;propane (PubChem CID 145319399) has the molecular formula C12H24 and a molecular weight of 168.32 g/mol. Its IUPAC name is (Z)-3,5-dimethyl-4-methylidenehex-2-ene;propane.

Molecular Properties

Compound Name(Z)-3,5-dimethyl-4-methylidenehex-2-ene;propane
PubChem CID145319399
Molecular FormulaC12H24
Molecular Weight168.32 g/mol
Exact Mass168.19
IUPAC Name(Z)-3,5-dimethyl-4-methylidenehex-2-ene;propane
SMILESC=C(/C(C)=C\C)C(C)C.CCC
InChIInChI=1S/C9H16.C3H8/c1-6-8(4)9(5)7(2)3;1-3-2/h6-7H,5H2,1-4H3;3H2,1-2H3/b8-6-;
InChIKeySMLQZVKBXIJILG-PHZXCRFESA-N
XLogP4.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.32
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(E)-3,4-dimethylpent-2-ene;ethene;propane
CID 178040270
N,N,2,4-tetramethyl-3-methylidenepent-1-en-1-amine
CID 123516073
(E)-3,5-dimethyl-4-methylidenehex-2-enoic acid
CID 159434204
(2Z,4E)-5-bromo-7-methyl-6-methylideneocta-2,4-diene
CID 172586692
[(Z)-3,5-dimethyl-4-methylidenehex-2-enylidene]-hydridotungsten
CID 155744599
bis(2-methylprop-1-ene);propane
CID 159493997
(3E,5E)-4,5-dimethylhepta-1,3,5-triene;ethane;propane
CID 156821319
2-methyl-5-propan-2-ylhepta-1,3,5-triene
CID 76662883
(Z)-6-chloro-3-methyl-4-methylidenehex-2-ene
CID 59891141
buta-1,2-diene;ethane;methane;2-methylbut-1-ene;2-methylpropane;propane
CID 143721190
N-ethenyl-5-methyl-4-methylidenehexan-3-imine
CID 177170143
N-[(Z)-2-ethyl-4-methyl-3-methylidenepent-1-enyl]methanimine
CID 145384898

Frequently Asked Questions

What is the IUPAC name of (Z)-3,5-dimethyl-4-methylidenehex-2-ene;propane?
The IUPAC name of (Z)-3,5-dimethyl-4-methylidenehex-2-ene;propane (CID 145319399) is (Z)-3,5-dimethyl-4-methylidenehex-2-ene;propane.
What is the SMILES notation for (Z)-3,5-dimethyl-4-methylidenehex-2-ene;propane?
The canonical SMILES for (Z)-3,5-dimethyl-4-methylidenehex-2-ene;propane is C=C(/C(C)=C\C)C(C)C.CCC.
What is the InChIKey of (Z)-3,5-dimethyl-4-methylidenehex-2-ene;propane?
The InChIKey is SMLQZVKBXIJILG-PHZXCRFESA-N. The full InChI is InChI=1S/C9H16.C3H8/c1-6-8(4)9(5)7(2)3;1-3-2/h6-7H,5H2,1-4H3;3H2,1-2H3/b8-6-;.
What are the key properties of (Z)-3,5-dimethyl-4-methylidenehex-2-ene;propane?
(Z)-3,5-dimethyl-4-methylidenehex-2-ene;propane has a molecular weight of 168.32 g/mol, XLogP of 4.58, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3,5-dimethyl-4-methylidenehex-2-ene;propane is sourced from PubChem (CID 145319399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).