cyclopentene;penta-1,3-diene;2,4,4-trimethylpent-1-ene

C18H32 — CID 57352584

IUPACcyclopentene;penta-1,3-diene;2,4,4-trimethylpent-1-ene
SMILESC1=CCCC1.C=C(C)CC(C)(C)C.C=CC=CC
InChIInChI=1S/C8H16.2C5H8/c1-7(2)6-8(3,4)5;1-2-4-5-3-1;1-3-5-4-2/h1,6H2,2-5H3;1-2H,3-5H2;3-5H,1H2,2H3
InChIKeyHQRFEDPXVBLVRZ-UHFFFAOYSA-N
MW248.45 g/mol
LogP6.47
Rot. Bonds2

About cyclopentene;penta-1,3-diene;2,4,4-trimethylpent-1-ene

cyclopentene;penta-1,3-diene;2,4,4-trimethylpent-1-ene (PubChem CID 57352584) has the molecular formula C18H32 and a molecular weight of 248.45 g/mol. Its IUPAC name is cyclopentene;penta-1,3-diene;2,4,4-trimethylpent-1-ene.

Molecular Properties

Compound Namecyclopentene;penta-1,3-diene;2,4,4-trimethylpent-1-ene
PubChem CID57352584
Molecular FormulaC18H32
Molecular Weight248.45 g/mol
Exact Mass248.25
IUPAC Namecyclopentene;penta-1,3-diene;2,4,4-trimethylpent-1-ene
SMILESC1=CCCC1.C=C(C)CC(C)(C)C.C=CC=CC
InChIInChI=1S/C8H16.2C5H8/c1-7(2)6-8(3,4)5;1-2-4-5-3-1;1-3-5-4-2/h1,6H2,2-5H3;1-2H,3-5H2;3-5H,1H2,2H3
InChIKeyHQRFEDPXVBLVRZ-UHFFFAOYSA-N
XLogP6.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500248.45
LogP ≤ 56.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,3,5,5-Tetramethyl-1,3-cyclohexadiene
CID 78453
(4E,6E,8E,10E,12E,14E,16E,18E)-2,6,10,15,19,23-Hexamethyl-2,4,6,8,10,12,14,16,18,22-tetracosadecaene
CID 6443791
15-cis-4,4'-Diapophytoene
CID 14019219
4,4'-Diapo-zeta-carotene
CID 11315692
4,4'-Diapophytofluene
CID 16061258
(E,E,E)-alpha-Springene
CID 5365883
Pentene, 2,4,4-trimethyl-
CID 102601787
C30 Botryococcene
CID 59053142
1-Ethyl-5,5-dimethylcyclopenta-1,3-diene
CID 572141
All-trans-4,4'-diapophytoene
CID 5377880
Pentamethylcyclopentadiene
CID 142539
(6E,11E,16E)-10-ethenyl-2,6,10,13,17,21-hexamethyldocosa-2,6,11,16,20-pentaene
CID 14274985

Frequently Asked Questions

What is the IUPAC name of cyclopentene;penta-1,3-diene;2,4,4-trimethylpent-1-ene?
The IUPAC name of cyclopentene;penta-1,3-diene;2,4,4-trimethylpent-1-ene (CID 57352584) is cyclopentene;penta-1,3-diene;2,4,4-trimethylpent-1-ene.
What is the SMILES notation for cyclopentene;penta-1,3-diene;2,4,4-trimethylpent-1-ene?
The canonical SMILES for cyclopentene;penta-1,3-diene;2,4,4-trimethylpent-1-ene is C1=CCCC1.C=C(C)CC(C)(C)C.C=CC=CC.
What is the InChIKey of cyclopentene;penta-1,3-diene;2,4,4-trimethylpent-1-ene?
The InChIKey is HQRFEDPXVBLVRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16.2C5H8/c1-7(2)6-8(3,4)5;1-2-4-5-3-1;1-3-5-4-2/h1,6H2,2-5H3;1-2H,3-5H2;3-5H,1H2,2H3.
What are the key properties of cyclopentene;penta-1,3-diene;2,4,4-trimethylpent-1-ene?
cyclopentene;penta-1,3-diene;2,4,4-trimethylpent-1-ene has a molecular weight of 248.45 g/mol, XLogP of 6.47, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentene;penta-1,3-diene;2,4,4-trimethylpent-1-ene is sourced from PubChem (CID 57352584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).