(7Z)-5,8-dimethyl-7-penta-2,4-dienyl-5,6,9,10-tetrahydrobenzo[8]annulene

C19H24 — CID 142938750

IUPAC(7Z)-5,8-dimethyl-7-penta-2,4-dienyl-5,6,9,10-tetrahydrobenzo[8]annulene
SMILESC=CC=CC/C1=C(\C)CCc2ccccc2C(C)C1
InChIInChI=1S/C19H24/c1-4-5-6-10-18-14-16(3)19-11-8-7-9-17(19)13-12-15(18)2/h4-9,11,16H,1,10,12-14H2,2-3H3/b6-5?,18-15-
InChIKeyXHMZFYSMLYYCST-DCSSPLAZSA-N
MW252.40 g/mol
LogP5.58
Rot. Bonds3

About (7Z)-5,8-dimethyl-7-penta-2,4-dienyl-5,6,9,10-tetrahydrobenzo[8]annulene

(7Z)-5,8-dimethyl-7-penta-2,4-dienyl-5,6,9,10-tetrahydrobenzo[8]annulene (PubChem CID 142938750) has the molecular formula C19H24 and a molecular weight of 252.40 g/mol. Its IUPAC name is (7Z)-5,8-dimethyl-7-penta-2,4-dienyl-5,6,9,10-tetrahydrobenzo[8]annulene.

Molecular Properties

Compound Name(7Z)-5,8-dimethyl-7-penta-2,4-dienyl-5,6,9,10-tetrahydrobenzo[8]annulene
PubChem CID142938750
Molecular FormulaC19H24
Molecular Weight252.40 g/mol
Exact Mass252.19
IUPAC Name(7Z)-5,8-dimethyl-7-penta-2,4-dienyl-5,6,9,10-tetrahydrobenzo[8]annulene
SMILESC=CC=CC/C1=C(\C)CCc2ccccc2C(C)C1
InChIInChI=1S/C19H24/c1-4-5-6-10-18-14-16(3)19-11-8-7-9-17(19)13-12-15(18)2/h4-9,11,16H,1,10,12-14H2,2-3H3/b6-5?,18-15-
InChIKeyXHMZFYSMLYYCST-DCSSPLAZSA-N
XLogP5.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.40
LogP ≤ 55.58
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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Frequently Asked Questions

What is the IUPAC name of (7Z)-5,8-dimethyl-7-penta-2,4-dienyl-5,6,9,10-tetrahydrobenzo[8]annulene?
The IUPAC name of (7Z)-5,8-dimethyl-7-penta-2,4-dienyl-5,6,9,10-tetrahydrobenzo[8]annulene (CID 142938750) is (7Z)-5,8-dimethyl-7-penta-2,4-dienyl-5,6,9,10-tetrahydrobenzo[8]annulene.
What is the SMILES notation for (7Z)-5,8-dimethyl-7-penta-2,4-dienyl-5,6,9,10-tetrahydrobenzo[8]annulene?
The canonical SMILES for (7Z)-5,8-dimethyl-7-penta-2,4-dienyl-5,6,9,10-tetrahydrobenzo[8]annulene is C=CC=CC/C1=C(\C)CCc2ccccc2C(C)C1.
What is the InChIKey of (7Z)-5,8-dimethyl-7-penta-2,4-dienyl-5,6,9,10-tetrahydrobenzo[8]annulene?
The InChIKey is XHMZFYSMLYYCST-DCSSPLAZSA-N. The full InChI is InChI=1S/C19H24/c1-4-5-6-10-18-14-16(3)19-11-8-7-9-17(19)13-12-15(18)2/h4-9,11,16H,1,10,12-14H2,2-3H3/b6-5?,18-15-.
What are the key properties of (7Z)-5,8-dimethyl-7-penta-2,4-dienyl-5,6,9,10-tetrahydrobenzo[8]annulene?
(7Z)-5,8-dimethyl-7-penta-2,4-dienyl-5,6,9,10-tetrahydrobenzo[8]annulene has a molecular weight of 252.40 g/mol, XLogP of 5.58, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (7Z)-5,8-dimethyl-7-penta-2,4-dienyl-5,6,9,10-tetrahydrobenzo[8]annulene is sourced from PubChem (CID 142938750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).