6-but-3-en-2-yl-4-methylundeca-4,7-diene

C16H28 — CID 173062275

IUPAC6-but-3-en-2-yl-4-methylundeca-4,7-diene
SMILESC=CC(C)C(C=CCCC)C=C(C)CCC
InChIInChI=1S/C16H28/c1-6-9-10-12-16(15(5)8-3)13-14(4)11-7-2/h8,10,12-13,15-16H,3,6-7,9,11H2,1-2,4-5H3
InChIKeyXZXUXADACDNURQ-UHFFFAOYSA-N
MW220.40 g/mol
LogP5.53
Rot. Bonds8

About 6-but-3-en-2-yl-4-methylundeca-4,7-diene

6-but-3-en-2-yl-4-methylundeca-4,7-diene (PubChem CID 173062275) has the molecular formula C16H28 and a molecular weight of 220.40 g/mol. Its IUPAC name is 6-but-3-en-2-yl-4-methylundeca-4,7-diene.

Molecular Properties

Compound Name6-but-3-en-2-yl-4-methylundeca-4,7-diene
PubChem CID173062275
Molecular FormulaC16H28
Molecular Weight220.40 g/mol
Exact Mass220.22
IUPAC Name6-but-3-en-2-yl-4-methylundeca-4,7-diene
SMILESC=CC(C)C(C=CCCC)C=C(C)CCC
InChIInChI=1S/C16H28/c1-6-9-10-12-16(15(5)8-3)13-14(4)11-7-2/h8,10,12-13,15-16H,3,6-7,9,11H2,1-2,4-5H3
InChIKeyXZXUXADACDNURQ-UHFFFAOYSA-N
XLogP5.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500220.40
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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CID 57098033
3-methylocta-1,4-diene
CID 123442447
(5E)-nona-1,5-dien-4-ol
CID 10931514
3,7-dimethyldeca-1,4,6-triene
CID 123725882
(E)-2,3-dimethyloct-4-ene
CID 173368392
1-fluoro-2,4-dimethylhept-3-ene
CID 155390379
4-hydroxynon-5-en-2-one
CID 71379683
6,7,9-trimethyldec-4-ene
CID 123201610
deca-1,6-dien-3-ol
CID 56622854
(E)-2-ethenoxyhept-3-ene
CID 102248112
(E)-3-hydroperoxy-5-methyloct-4-ene
CID 15041468
4,5,7-trimethyl-7-pent-1-en-2-yl-6-pent-1-en-3-yldodeca-1,5,8-triene
CID 140976795

Frequently Asked Questions

What is the IUPAC name of 6-but-3-en-2-yl-4-methylundeca-4,7-diene?
The IUPAC name of 6-but-3-en-2-yl-4-methylundeca-4,7-diene (CID 173062275) is 6-but-3-en-2-yl-4-methylundeca-4,7-diene.
What is the SMILES notation for 6-but-3-en-2-yl-4-methylundeca-4,7-diene?
The canonical SMILES for 6-but-3-en-2-yl-4-methylundeca-4,7-diene is C=CC(C)C(C=CCCC)C=C(C)CCC.
What is the InChIKey of 6-but-3-en-2-yl-4-methylundeca-4,7-diene?
The InChIKey is XZXUXADACDNURQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28/c1-6-9-10-12-16(15(5)8-3)13-14(4)11-7-2/h8,10,12-13,15-16H,3,6-7,9,11H2,1-2,4-5H3.
What are the key properties of 6-but-3-en-2-yl-4-methylundeca-4,7-diene?
6-but-3-en-2-yl-4-methylundeca-4,7-diene has a molecular weight of 220.40 g/mol, XLogP of 5.53, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-but-3-en-2-yl-4-methylundeca-4,7-diene is sourced from PubChem (CID 173062275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).