(3Z)-2-methylundeca-1,3-dien-5-yne

C12H18 — CID 102067427

IUPAC(3Z)-2-methylundeca-1,3-dien-5-yne
SMILESC=C(C)/C=C\C#CCCCCC
InChIInChI=1S/C12H18/c1-4-5-6-7-8-9-10-11-12(2)3/h10-11H,2,4-7H2,1,3H3/b11-10-
InChIKeyBRLULOXBYKNOOL-KHPPLWFESA-N
MW162.28 g/mol
LogP3.70
Rot. Bonds4

About (3Z)-2-methylundeca-1,3-dien-5-yne

(3Z)-2-methylundeca-1,3-dien-5-yne (PubChem CID 102067427) has the molecular formula C12H18 and a molecular weight of 162.28 g/mol. Its IUPAC name is (3Z)-2-methylundeca-1,3-dien-5-yne.

Molecular Properties

Compound Name(3Z)-2-methylundeca-1,3-dien-5-yne
PubChem CID102067427
Molecular FormulaC12H18
Molecular Weight162.28 g/mol
Exact Mass162.14
IUPAC Name(3Z)-2-methylundeca-1,3-dien-5-yne
SMILESC=C(C)/C=C\C#CCCCCC
InChIInChI=1S/C12H18/c1-4-5-6-7-8-9-10-11-12(2)3/h10-11H,2,4-7H2,1,3H3/b11-10-
InChIKeyBRLULOXBYKNOOL-KHPPLWFESA-N
XLogP3.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.28
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(E)-undec-3-en-5-yne
CID 5367449
(Z)-heptadec-3-en-5-yne
CID 5367448
(Z)-tetradec-6-en-4,8-diyn-1-ol
CID 100971906
dec-2-en-4-yne
CID 54142868
1-iodonon-1-en-3-yne
CID 71425479
(E)-non-2-en-4-yne
CID 5367387
(Z)-1-chlorodec-1-en-3-yne
CID 124646971
(Z)-heptadec-8-en-6-yne
CID 101260338
(Z)-3-methyldec-3-en-5-yne
CID 134977329
(E)-tridec-4-en-6-yn-1-ol
CID 15420486
(2E,4Z)-undeca-2,4-dien-6-yne
CID 102094475
(Z)-1-butylsulfanyldec-1-en-3-yne
CID 102456339

Frequently Asked Questions

What is the IUPAC name of (3Z)-2-methylundeca-1,3-dien-5-yne?
The IUPAC name of (3Z)-2-methylundeca-1,3-dien-5-yne (CID 102067427) is (3Z)-2-methylundeca-1,3-dien-5-yne.
What is the SMILES notation for (3Z)-2-methylundeca-1,3-dien-5-yne?
The canonical SMILES for (3Z)-2-methylundeca-1,3-dien-5-yne is C=C(C)/C=C\C#CCCCCC.
What is the InChIKey of (3Z)-2-methylundeca-1,3-dien-5-yne?
The InChIKey is BRLULOXBYKNOOL-KHPPLWFESA-N. The full InChI is InChI=1S/C12H18/c1-4-5-6-7-8-9-10-11-12(2)3/h10-11H,2,4-7H2,1,3H3/b11-10-.
What are the key properties of (3Z)-2-methylundeca-1,3-dien-5-yne?
(3Z)-2-methylundeca-1,3-dien-5-yne has a molecular weight of 162.28 g/mol, XLogP of 3.70, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-2-methylundeca-1,3-dien-5-yne is sourced from PubChem (CID 102067427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).