(Z)-5,5-dimethylhept-3-en-1-yne;prop-1-ene

C12H20 — CID 142062175

IUPAC(Z)-5,5-dimethylhept-3-en-1-yne;prop-1-ene
SMILESC#C/C=C\C(C)(C)CC.C=CC
InChIInChI=1S/C9H14.C3H6/c1-5-7-8-9(3,4)6-2;1-3-2/h1,7-8H,6H2,2-4H3;3H,1H2,2H3/b8-7-;
InChIKeyCHLYQDNRDOYXRE-CFYXSCKTSA-N
MW164.29 g/mol
LogP3.80
Rot. Bonds2

About (Z)-5,5-dimethylhept-3-en-1-yne;prop-1-ene

(Z)-5,5-dimethylhept-3-en-1-yne;prop-1-ene (PubChem CID 142062175) has the molecular formula C12H20 and a molecular weight of 164.29 g/mol. Its IUPAC name is (Z)-5,5-dimethylhept-3-en-1-yne;prop-1-ene.

Molecular Properties

Compound Name(Z)-5,5-dimethylhept-3-en-1-yne;prop-1-ene
PubChem CID142062175
Molecular FormulaC12H20
Molecular Weight164.29 g/mol
Exact Mass164.16
IUPAC Name(Z)-5,5-dimethylhept-3-en-1-yne;prop-1-ene
SMILESC#C/C=C\C(C)(C)CC.C=CC
InChIInChI=1S/C9H14.C3H6/c1-5-7-8-9(3,4)6-2;1-3-2/h1,7-8H,6H2,2-4H3;3H,1H2,2H3/b8-7-;
InChIKeyCHLYQDNRDOYXRE-CFYXSCKTSA-N
XLogP3.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.29
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,5-Heptadiene, 3,3,6-trimethyl-
CID 520731
trans-4,4-Dimethyl-2-hexene
CID 5352664
cis-5,5-Dimethyl-2-hexene
CID 5364964
5,5-Dimethyl-2-hexene
CID 5463192
4,4-Dimethyl-2-hexene
CID 140555
(Z)-4,4-Dimethylhex-2-ene
CID 6430914
5,5-Dimethylhex-2-ene
CID 142369
(E)-2,2,6,6-tetramethylhept-3-ene
CID 20740439
6-Dimeth-yl-3-heptene
CID 21014713
(Z)-6,6-dimethylhept-3-ene
CID 58596106
(Z)-2,2,7-trimethyloct-4-ene
CID 135040545
Dineopentyl-ethylene
CID 138439

Frequently Asked Questions

What is the IUPAC name of (Z)-5,5-dimethylhept-3-en-1-yne;prop-1-ene?
The IUPAC name of (Z)-5,5-dimethylhept-3-en-1-yne;prop-1-ene (CID 142062175) is (Z)-5,5-dimethylhept-3-en-1-yne;prop-1-ene.
What is the SMILES notation for (Z)-5,5-dimethylhept-3-en-1-yne;prop-1-ene?
The canonical SMILES for (Z)-5,5-dimethylhept-3-en-1-yne;prop-1-ene is C#C/C=C\C(C)(C)CC.C=CC.
What is the InChIKey of (Z)-5,5-dimethylhept-3-en-1-yne;prop-1-ene?
The InChIKey is CHLYQDNRDOYXRE-CFYXSCKTSA-N. The full InChI is InChI=1S/C9H14.C3H6/c1-5-7-8-9(3,4)6-2;1-3-2/h1,7-8H,6H2,2-4H3;3H,1H2,2H3/b8-7-;.
What are the key properties of (Z)-5,5-dimethylhept-3-en-1-yne;prop-1-ene?
(Z)-5,5-dimethylhept-3-en-1-yne;prop-1-ene has a molecular weight of 164.29 g/mol, XLogP of 3.80, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5,5-dimethylhept-3-en-1-yne;prop-1-ene is sourced from PubChem (CID 142062175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).