spiro[4.7]dodeca-1,3-diene

C12H18 — CID 59742087

IUPACspiro[4.7]dodeca-1,3-diene
SMILESC1=CC2(C=C1)CCCCCCC2
InChIInChI=1S/C12H18/c1-2-4-8-12(9-5-3-1)10-6-7-11-12/h6-7,10-11H,1-5,8-9H2
InChIKeyIHOMBXDJZGUEFF-UHFFFAOYSA-N
MW162.28 g/mol
LogP3.84
Rot. Bonds

About spiro[4.7]dodeca-1,3-diene

spiro[4.7]dodeca-1,3-diene (PubChem CID 59742087) has the molecular formula C12H18 and a molecular weight of 162.28 g/mol. Its IUPAC name is spiro[4.7]dodeca-1,3-diene.

Molecular Properties

Compound Namespiro[4.7]dodeca-1,3-diene
PubChem CID59742087
Molecular FormulaC12H18
Molecular Weight162.28 g/mol
Exact Mass162.14
IUPAC Namespiro[4.7]dodeca-1,3-diene
SMILESC1=CC2(C=C1)CCCCCCC2
InChIInChI=1S/C12H18/c1-2-4-8-12(9-5-3-1)10-6-7-11-12/h6-7,10-11H,1-5,8-9H2
InChIKeyIHOMBXDJZGUEFF-UHFFFAOYSA-N
XLogP3.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.28
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,3,3-trimethyl-2-((1E,3E)-3-methylpenta-1,3-dien-1-yl)cyclohexene
CID 15143646
Megastigmatriene
CID 6430908
1,3,3-trimethyl-2-[(1E)-3-methylbuta-1,3-dienyl]cyclohexene
CID 11823060
Spiro[4.5]dec-1-ene
CID 564546
1,3,3-trimethyl-2-[(2E)-3-methylpenta-2,4-dienyl]cyclohexene
CID 13028894
Cyclopentene, 5-hexyl-3,3-dimethyl-
CID 565483
1,3,3-trimethyl-2-[(E)-prop-1-enyl]cyclohexene
CID 5314041
4-Dimethyl cyclooctene
CID 5365085
Spiro[4.5]dec-2-ene
CID 21501383
Dibutyldihydrobenzene
CID 129805498
Dioctylcyclopentadiene
CID 129881639
Bicyclo[6.4.0]dodeca-9,11-diene
CID 564276

Frequently Asked Questions

What is the IUPAC name of spiro[4.7]dodeca-1,3-diene?
The IUPAC name of spiro[4.7]dodeca-1,3-diene (CID 59742087) is spiro[4.7]dodeca-1,3-diene.
What is the SMILES notation for spiro[4.7]dodeca-1,3-diene?
The canonical SMILES for spiro[4.7]dodeca-1,3-diene is C1=CC2(C=C1)CCCCCCC2.
What is the InChIKey of spiro[4.7]dodeca-1,3-diene?
The InChIKey is IHOMBXDJZGUEFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18/c1-2-4-8-12(9-5-3-1)10-6-7-11-12/h6-7,10-11H,1-5,8-9H2.
What are the key properties of spiro[4.7]dodeca-1,3-diene?
spiro[4.7]dodeca-1,3-diene has a molecular weight of 162.28 g/mol, XLogP of 3.84, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[4.7]dodeca-1,3-diene is sourced from PubChem (CID 59742087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).