8-methyltetradeca-6,7-dien-1,13-diyne

C15H20 — CID 102123509

IUPAC8-methyltetradeca-6,7-dien-1,13-diyne
SMILESC#CCCCC=C=C(C)CCCCC#C
InChIInChI=1S/C15H20/c1-4-6-8-10-12-14-15(3)13-11-9-7-5-2/h1-2,12H,6-11,13H2,3H3
InChIKeyLAXCQVUZGQZWAX-UHFFFAOYSA-N
MW200.32 g/mol
LogP4.08
Rot. Bonds7

About 8-methyltetradeca-6,7-dien-1,13-diyne

8-methyltetradeca-6,7-dien-1,13-diyne (PubChem CID 102123509) has the molecular formula C15H20 and a molecular weight of 200.32 g/mol. Its IUPAC name is 8-methyltetradeca-6,7-dien-1,13-diyne.

Molecular Properties

Compound Name8-methyltetradeca-6,7-dien-1,13-diyne
PubChem CID102123509
Molecular FormulaC15H20
Molecular Weight200.32 g/mol
Exact Mass200.16
IUPAC Name8-methyltetradeca-6,7-dien-1,13-diyne
SMILESC#CCCCC=C=C(C)CCCCC#C
InChIInChI=1S/C15H20/c1-4-6-8-10-12-14-15(3)13-11-9-7-5-2/h1-2,12H,6-11,13H2,3H3
InChIKeyLAXCQVUZGQZWAX-UHFFFAOYSA-N
XLogP4.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 54.08
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

(E)-hexadec-3-en-15-yne-2,5-dione
CID 44613167
N-methyloct-7-ynamide
CID 175792048
2-prop-1-enylideneoct-7-ynoic acid
CID 10845046
trideca-1,12-diyne
CID 13119526
heptatriaconta-1,36-diyne
CID 58527209
5-methyldeca-3,4-dienyl carbamate
CID 71519865
N-hydroxyhept-6-ynamide
CID 71623064
2-methylhept-1-en-6-yne
CID 10396805
N',N'-dimethylhept-6-ynehydrazide
CID 163368546
trideca-6,12-diyn-2-one
CID 14736662
tetradec-13-ynamide
CID 19767571
heptadec-16-ynoic acid
CID 5312626

Frequently Asked Questions

What is the IUPAC name of 8-methyltetradeca-6,7-dien-1,13-diyne?
The IUPAC name of 8-methyltetradeca-6,7-dien-1,13-diyne (CID 102123509) is 8-methyltetradeca-6,7-dien-1,13-diyne.
What is the SMILES notation for 8-methyltetradeca-6,7-dien-1,13-diyne?
The canonical SMILES for 8-methyltetradeca-6,7-dien-1,13-diyne is C#CCCCC=C=C(C)CCCCC#C.
What is the InChIKey of 8-methyltetradeca-6,7-dien-1,13-diyne?
The InChIKey is LAXCQVUZGQZWAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20/c1-4-6-8-10-12-14-15(3)13-11-9-7-5-2/h1-2,12H,6-11,13H2,3H3.
What are the key properties of 8-methyltetradeca-6,7-dien-1,13-diyne?
8-methyltetradeca-6,7-dien-1,13-diyne has a molecular weight of 200.32 g/mol, XLogP of 4.08, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyltetradeca-6,7-dien-1,13-diyne is sourced from PubChem (CID 102123509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).