(Z)-7,8-dimethyltetradec-7-en-1,13-diyne

C16H24 — CID 13356668

IUPAC(Z)-7,8-dimethyltetradec-7-en-1,13-diyne
SMILESC#CCCCC/C(C)=C(/C)CCCCC#C
InChIInChI=1S/C16H24/c1-5-7-9-11-13-15(3)16(4)14-12-10-8-6-2/h1-2H,7-14H2,3-4H3/b16-15-
InChIKeyOPWBGSBKLRQBRS-NXVVXOECSA-N
MW216.37 g/mol
LogP4.71
Rot. Bonds8

About (Z)-7,8-dimethyltetradec-7-en-1,13-diyne

(Z)-7,8-dimethyltetradec-7-en-1,13-diyne (PubChem CID 13356668) has the molecular formula C16H24 and a molecular weight of 216.37 g/mol. Its IUPAC name is (Z)-7,8-dimethyltetradec-7-en-1,13-diyne.

Molecular Properties

Compound Name(Z)-7,8-dimethyltetradec-7-en-1,13-diyne
PubChem CID13356668
Molecular FormulaC16H24
Molecular Weight216.37 g/mol
Exact Mass216.19
IUPAC Name(Z)-7,8-dimethyltetradec-7-en-1,13-diyne
SMILESC#CCCCC/C(C)=C(/C)CCCCC#C
InChIInChI=1S/C16H24/c1-5-7-9-11-13-15(3)16(4)14-12-10-8-6-2/h1-2H,7-14H2,3-4H3/b16-15-
InChIKeyOPWBGSBKLRQBRS-NXVVXOECSA-N
XLogP4.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.37
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

5,6-Dimethylhept-5-en-1-yne
CID 85563048
1-Ethynyl-2-methylcyclohex-1-ene
CID 12377444
1-Methyl-2-oct-1-ynylcyclobutene
CID 10773623
6,8-Dimethyltetradeca-6,7-dien-1,13-diyne
CID 10900010
1-Ethynyl-2-prop-1-ynylcyclopentene
CID 11297985
1,2-Diethynylcyclopent-1-ene
CID 11400748
8-Hept-1-ynyl-9-pentylhexadec-8-en-6,10-diyne
CID 11984056
(z)-3,4-Dipropylhex-3-ene-1,5-diyne
CID 12585185
(E)-7-methyltetradec-7-en-1,13-diyne
CID 12714334
(Z)-7-methyltetradec-7-en-1,13-diyne
CID 12714335
7-Butyl-8-(hex-1-yn-1-yl)tetradec-7-ene-5,9-diyne
CID 13416359
9-Hexyl-10-oct-1-ynyloctadec-9-en-7,11-diyne
CID 13416360

Frequently Asked Questions

What is the IUPAC name of (Z)-7,8-dimethyltetradec-7-en-1,13-diyne?
The IUPAC name of (Z)-7,8-dimethyltetradec-7-en-1,13-diyne (CID 13356668) is (Z)-7,8-dimethyltetradec-7-en-1,13-diyne.
What is the SMILES notation for (Z)-7,8-dimethyltetradec-7-en-1,13-diyne?
The canonical SMILES for (Z)-7,8-dimethyltetradec-7-en-1,13-diyne is C#CCCCC/C(C)=C(/C)CCCCC#C.
What is the InChIKey of (Z)-7,8-dimethyltetradec-7-en-1,13-diyne?
The InChIKey is OPWBGSBKLRQBRS-NXVVXOECSA-N. The full InChI is InChI=1S/C16H24/c1-5-7-9-11-13-15(3)16(4)14-12-10-8-6-2/h1-2H,7-14H2,3-4H3/b16-15-.
What are the key properties of (Z)-7,8-dimethyltetradec-7-en-1,13-diyne?
(Z)-7,8-dimethyltetradec-7-en-1,13-diyne has a molecular weight of 216.37 g/mol, XLogP of 4.71, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-7,8-dimethyltetradec-7-en-1,13-diyne is sourced from PubChem (CID 13356668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).