(3Z)-6,6-dimethyl-5-methylideneocta-1,3-dien-7-yne

C11H14 — CID 143798054

IUPAC(3Z)-6,6-dimethyl-5-methylideneocta-1,3-dien-7-yne
SMILESC#CC(C)(C)C(=C)/C=C\C=C
InChIInChI=1S/C11H14/c1-6-8-9-10(3)11(4,5)7-2/h2,6,8-9H,1,3H2,4-5H3/b9-8-
InChIKeySDDJRAXILZLOHU-HJWRWDBZSA-N
MW146.23 g/mol
LogP2.94
Rot. Bonds3

About (3Z)-6,6-dimethyl-5-methylideneocta-1,3-dien-7-yne

(3Z)-6,6-dimethyl-5-methylideneocta-1,3-dien-7-yne (PubChem CID 143798054) has the molecular formula C11H14 and a molecular weight of 146.23 g/mol. Its IUPAC name is (3Z)-6,6-dimethyl-5-methylideneocta-1,3-dien-7-yne.

Molecular Properties

Compound Name(3Z)-6,6-dimethyl-5-methylideneocta-1,3-dien-7-yne
PubChem CID143798054
Molecular FormulaC11H14
Molecular Weight146.23 g/mol
Exact Mass146.11
IUPAC Name(3Z)-6,6-dimethyl-5-methylideneocta-1,3-dien-7-yne
SMILESC#CC(C)(C)C(=C)/C=C\C=C
InChIInChI=1S/C11H14/c1-6-8-9-10(3)11(4,5)7-2/h2,6,8-9H,1,3H2,4-5H3/b9-8-
InChIKeySDDJRAXILZLOHU-HJWRWDBZSA-N
XLogP2.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.23
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

6,6-dimethyl-5-methylidenehepta-1,3-diene
CID 72571250
ethane;[(4Z)-2-methyl-3-methylidenehepta-4,6-dien-2-yl]benzene
CID 144915066
ethane;(3Z,5E)-5-ethynylhepta-1,3,5-triene
CID 143837264
(3Z,7Z)-5,6-dimethylidenedeca-1,3,7,9-tetraene;methane
CID 156726265
6-methyl-5-methylidenehepta-1,3,6-triene
CID 54100301
ethane;(3E,6E,7Z)-6-ethylidene-5-ethynyl-4-[(Z)-prop-1-enyl]deca-1,3,7,9-tetraen-5-ol
CID 143661428
(3E,5Z)-5-bromo-7,7-dimethylocta-1,3,5-triene
CID 12002581
(3E,5Z)-4-tert-butyl-2-methoxyocta-1,3,5,7-tetraene
CID 130337292
2-methylsulfanylhexa-1,3,5-triene
CID 123672655
hexa-1,3,5-trien-2-yl(trimethyl)azanium
CID 123638146
(3Z)-hexa-1,3,5-triene-2-thiol;propa-1,2-diene
CID 144863707
2-bromohexa-1,3,5-triene
CID 91549125

Frequently Asked Questions

What is the IUPAC name of (3Z)-6,6-dimethyl-5-methylideneocta-1,3-dien-7-yne?
The IUPAC name of (3Z)-6,6-dimethyl-5-methylideneocta-1,3-dien-7-yne (CID 143798054) is (3Z)-6,6-dimethyl-5-methylideneocta-1,3-dien-7-yne.
What is the SMILES notation for (3Z)-6,6-dimethyl-5-methylideneocta-1,3-dien-7-yne?
The canonical SMILES for (3Z)-6,6-dimethyl-5-methylideneocta-1,3-dien-7-yne is C#CC(C)(C)C(=C)/C=C\C=C.
What is the InChIKey of (3Z)-6,6-dimethyl-5-methylideneocta-1,3-dien-7-yne?
The InChIKey is SDDJRAXILZLOHU-HJWRWDBZSA-N. The full InChI is InChI=1S/C11H14/c1-6-8-9-10(3)11(4,5)7-2/h2,6,8-9H,1,3H2,4-5H3/b9-8-.
What are the key properties of (3Z)-6,6-dimethyl-5-methylideneocta-1,3-dien-7-yne?
(3Z)-6,6-dimethyl-5-methylideneocta-1,3-dien-7-yne has a molecular weight of 146.23 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-6,6-dimethyl-5-methylideneocta-1,3-dien-7-yne is sourced from PubChem (CID 143798054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).