(Z)-7-methyltetradec-7-en-1,13-diyne

C15H22 — CID 12714335

IUPAC(Z)-7-methyltetradec-7-en-1,13-diyne
SMILESC#CCCCC/C=C(/C)CCCCC#C
InChIInChI=1S/C15H22/c1-4-6-8-10-12-14-15(3)13-11-9-7-5-2/h1-2,14H,6-13H2,3H3/b15-14-
InChIKeyKUSHXCUFBCUGSZ-PFONDFGASA-N
MW202.34 g/mol
LogP4.32
Rot. Bonds8

About (Z)-7-methyltetradec-7-en-1,13-diyne

(Z)-7-methyltetradec-7-en-1,13-diyne (PubChem CID 12714335) has the molecular formula C15H22 and a molecular weight of 202.34 g/mol. Its IUPAC name is (Z)-7-methyltetradec-7-en-1,13-diyne.

Molecular Properties

Compound Name(Z)-7-methyltetradec-7-en-1,13-diyne
PubChem CID12714335
Molecular FormulaC15H22
Molecular Weight202.34 g/mol
Exact Mass202.17
IUPAC Name(Z)-7-methyltetradec-7-en-1,13-diyne
SMILESC#CCCCC/C=C(/C)CCCCC#C
InChIInChI=1S/C15H22/c1-4-6-8-10-12-14-15(3)13-11-9-7-5-2/h1-2,14H,6-13H2,3H3/b15-14-
InChIKeyKUSHXCUFBCUGSZ-PFONDFGASA-N
XLogP4.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 54.32
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

4-Propyl-3-heptene
CID 138270
1-Ethynylcyclohexene
CID 79128
2-Methyl-2-nonene
CID 519858
4-Ethyl-3-octen
CID 521478
3-Methyl-2-octene
CID 5463609
3-Decen-1-yne, (E)-
CID 5367345
Tetradeca-6,13-dien-1,3-diyne
CID 91582024
1,1'-Ethyne-1,2-diyldicyclohexene
CID 235024
6-Methyl-5-undecene
CID 5364655
4-Tridecen-6-yne, (E)-
CID 5367374
5,9,14,18,22-Pentamethyl-tricosa-5,9,13,17,21-pentaen-1-yne
CID 14544609
5,9,14,18-Tetramethyl-docosa-5,9,13,17-tetraene-1,21-diyne
CID 14544610

Frequently Asked Questions

What is the IUPAC name of (Z)-7-methyltetradec-7-en-1,13-diyne?
The IUPAC name of (Z)-7-methyltetradec-7-en-1,13-diyne (CID 12714335) is (Z)-7-methyltetradec-7-en-1,13-diyne.
What is the SMILES notation for (Z)-7-methyltetradec-7-en-1,13-diyne?
The canonical SMILES for (Z)-7-methyltetradec-7-en-1,13-diyne is C#CCCCC/C=C(/C)CCCCC#C.
What is the InChIKey of (Z)-7-methyltetradec-7-en-1,13-diyne?
The InChIKey is KUSHXCUFBCUGSZ-PFONDFGASA-N. The full InChI is InChI=1S/C15H22/c1-4-6-8-10-12-14-15(3)13-11-9-7-5-2/h1-2,14H,6-13H2,3H3/b15-14-.
What are the key properties of (Z)-7-methyltetradec-7-en-1,13-diyne?
(Z)-7-methyltetradec-7-en-1,13-diyne has a molecular weight of 202.34 g/mol, XLogP of 4.32, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-7-methyltetradec-7-en-1,13-diyne is sourced from PubChem (CID 12714335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).