(Z)-3,4-dimethylhept-3-ene;ethane;propane

C14H32 — CID 144674690

IUPAC(Z)-3,4-dimethylhept-3-ene;ethane;propane
SMILESCC.CCC.CCC/C(C)=C(/C)CC
InChIInChI=1S/C9H18.C3H8.C2H6/c1-5-7-9(4)8(3)6-2;1-3-2;1-2/h5-7H2,1-4H3;3H2,1-2H3;1-2H3/b9-8-;;
InChIKeyIUNNIYGROFWIDC-ULDSSAIZSA-N
MW200.41 g/mol
LogP5.98
Rot. Bonds3

About (Z)-3,4-dimethylhept-3-ene;ethane;propane

(Z)-3,4-dimethylhept-3-ene;ethane;propane (PubChem CID 144674690) has the molecular formula C14H32 and a molecular weight of 200.41 g/mol. Its IUPAC name is (Z)-3,4-dimethylhept-3-ene;ethane;propane.

Molecular Properties

Compound Name(Z)-3,4-dimethylhept-3-ene;ethane;propane
PubChem CID144674690
Molecular FormulaC14H32
Molecular Weight200.41 g/mol
Exact Mass200.25
IUPAC Name(Z)-3,4-dimethylhept-3-ene;ethane;propane
SMILESCC.CCC.CCC/C(C)=C(/C)CC
InChIInChI=1S/C9H18.C3H8.C2H6/c1-5-7-9(4)8(3)6-2;1-3-2;1-2/h5-7H2,1-4H3;3H2,1-2H3;1-2H3/b9-8-;;
InChIKeyIUNNIYGROFWIDC-ULDSSAIZSA-N
XLogP5.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500200.41
LogP ≤ 55.98
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

(E)-4,5-dimethyloct-4-ene
CID 12714364
2,3-dimethylhex-2-ene;ethane
CID 144601748
(E)-3,4-dimethylicos-3-ene
CID 173263978
5,6-dimethyloct-5-en-2-one
CID 131227904
2,3-dimethylpent-2-ene;propane
CID 162031516
5-ethyl-4-methylnon-4-ene
CID 143021471
(E)-N,4-dimethylhept-3-en-3-amine
CID 170734903
6,7-dimethyldeca-2,6-diene
CID 91199113
(E)-3-methyl-4-propyloct-3-ene
CID 57107532
ethane;(Z)-2-methoxy-3-methylpent-2-ene
CID 144825663
5-methyloct-4-en-4-amine
CID 176900512
2,3-dimethylpent-2-en-1-ol
CID 54207252

Frequently Asked Questions

What is the IUPAC name of (Z)-3,4-dimethylhept-3-ene;ethane;propane?
The IUPAC name of (Z)-3,4-dimethylhept-3-ene;ethane;propane (CID 144674690) is (Z)-3,4-dimethylhept-3-ene;ethane;propane.
What is the SMILES notation for (Z)-3,4-dimethylhept-3-ene;ethane;propane?
The canonical SMILES for (Z)-3,4-dimethylhept-3-ene;ethane;propane is CC.CCC.CCC/C(C)=C(/C)CC.
What is the InChIKey of (Z)-3,4-dimethylhept-3-ene;ethane;propane?
The InChIKey is IUNNIYGROFWIDC-ULDSSAIZSA-N. The full InChI is InChI=1S/C9H18.C3H8.C2H6/c1-5-7-9(4)8(3)6-2;1-3-2;1-2/h5-7H2,1-4H3;3H2,1-2H3;1-2H3/b9-8-;;.
What are the key properties of (Z)-3,4-dimethylhept-3-ene;ethane;propane?
(Z)-3,4-dimethylhept-3-ene;ethane;propane has a molecular weight of 200.41 g/mol, XLogP of 5.98, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3,4-dimethylhept-3-ene;ethane;propane is sourced from PubChem (CID 144674690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).