(E)-8-methyltridec-7-en-5-yne

C14H24 — CID 24972331

IUPAC(E)-8-methyltridec-7-en-5-yne
SMILESCCCCC#C/C=C(\C)CCCCC
InChIInChI=1S/C14H24/c1-4-6-8-9-11-13-14(3)12-10-7-5-2/h13H,4-8,10,12H2,1-3H3/b14-13+
InChIKeyCEKVVUWBDWAMRQ-BUHFOSPRSA-N
MW192.35 g/mol
LogP4.71
Rot. Bonds6

About (E)-8-methyltridec-7-en-5-yne

(E)-8-methyltridec-7-en-5-yne (PubChem CID 24972331) has the molecular formula C14H24 and a molecular weight of 192.35 g/mol. Its IUPAC name is (E)-8-methyltridec-7-en-5-yne.

Molecular Properties

Compound Name(E)-8-methyltridec-7-en-5-yne
PubChem CID24972331
Molecular FormulaC14H24
Molecular Weight192.35 g/mol
Exact Mass192.19
IUPAC Name(E)-8-methyltridec-7-en-5-yne
SMILESCCCCC#C/C=C(\C)CCCCC
InChIInChI=1S/C14H24/c1-4-6-8-9-11-13-14(3)12-10-7-5-2/h13H,4-8,10,12H2,1-3H3/b14-13+
InChIKeyCEKVVUWBDWAMRQ-BUHFOSPRSA-N
XLogP4.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.35
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': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

Terpinolene
CID 11463
Germacrene B
CID 5281519
gamma-Bisabolene
CID 62346
gamma-BISABOLENE, (E)-
CID 5352437
4-Propyl-3-heptene
CID 138270
gamma-Bisabolene, (Z)-
CID 3033866
1-Ethynylcyclohexene
CID 79128
(1Z,4Z)-germacrene B
CID 6370843
2-Methyl-2-undecene
CID 549973
2-Heptene, 3-methyl-
CID 5366149
1-Methyl-5-(propan-2-ylidene)cyclohex-1-ene
CID 11040762
4-Nonene, 5-butyl-
CID 300477

Frequently Asked Questions

What is the IUPAC name of (E)-8-methyltridec-7-en-5-yne?
The IUPAC name of (E)-8-methyltridec-7-en-5-yne (CID 24972331) is (E)-8-methyltridec-7-en-5-yne.
What is the SMILES notation for (E)-8-methyltridec-7-en-5-yne?
The canonical SMILES for (E)-8-methyltridec-7-en-5-yne is CCCCC#C/C=C(\C)CCCCC.
What is the InChIKey of (E)-8-methyltridec-7-en-5-yne?
The InChIKey is CEKVVUWBDWAMRQ-BUHFOSPRSA-N. The full InChI is InChI=1S/C14H24/c1-4-6-8-9-11-13-14(3)12-10-7-5-2/h13H,4-8,10,12H2,1-3H3/b14-13+.
What are the key properties of (E)-8-methyltridec-7-en-5-yne?
(E)-8-methyltridec-7-en-5-yne has a molecular weight of 192.35 g/mol, XLogP of 4.71, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-8-methyltridec-7-en-5-yne is sourced from PubChem (CID 24972331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).