(5E)-7,8,9,10,11,12-hexahydrobenzo[10]annulene

C14H18 — CID 134982097

IUPAC(5E)-7,8,9,10,11,12-hexahydrobenzo[10]annulene
SMILESC1=C/c2ccccc2CCCCCC/1
InChIInChI=1S/C14H18/c1-2-4-6-10-14-12-8-7-11-13(14)9-5-3-1/h5,7-9,11-12H,1-4,6,10H2/b9-5+
InChIKeyGLZWOBGHHUWGLQ-WEVVVXLNSA-N
MW186.30 g/mol
LogP4.21
Rot. Bonds

About (5E)-7,8,9,10,11,12-hexahydrobenzo[10]annulene

(5E)-7,8,9,10,11,12-hexahydrobenzo[10]annulene (PubChem CID 134982097) has the molecular formula C14H18 and a molecular weight of 186.30 g/mol. Its IUPAC name is (5E)-7,8,9,10,11,12-hexahydrobenzo[10]annulene.

Molecular Properties

Compound Name(5E)-7,8,9,10,11,12-hexahydrobenzo[10]annulene
PubChem CID134982097
Molecular FormulaC14H18
Molecular Weight186.30 g/mol
Exact Mass186.14
IUPAC Name(5E)-7,8,9,10,11,12-hexahydrobenzo[10]annulene
SMILESC1=C/c2ccccc2CCCCCC/1
InChIInChI=1S/C14H18/c1-2-4-6-10-14-12-8-7-11-13(14)9-5-3-1/h5,7-9,11-12H,1-4,6,10H2/b9-5+
InChIKeyGLZWOBGHHUWGLQ-WEVVVXLNSA-N
XLogP4.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (5E)-7,8,9,10,11,12-hexahydrobenzo[10]annulene?
The IUPAC name of (5E)-7,8,9,10,11,12-hexahydrobenzo[10]annulene (CID 134982097) is (5E)-7,8,9,10,11,12-hexahydrobenzo[10]annulene.
What is the SMILES notation for (5E)-7,8,9,10,11,12-hexahydrobenzo[10]annulene?
The canonical SMILES for (5E)-7,8,9,10,11,12-hexahydrobenzo[10]annulene is C1=C/c2ccccc2CCCCCC/1.
What is the InChIKey of (5E)-7,8,9,10,11,12-hexahydrobenzo[10]annulene?
The InChIKey is GLZWOBGHHUWGLQ-WEVVVXLNSA-N. The full InChI is InChI=1S/C14H18/c1-2-4-6-10-14-12-8-7-11-13(14)9-5-3-1/h5,7-9,11-12H,1-4,6,10H2/b9-5+.
What are the key properties of (5E)-7,8,9,10,11,12-hexahydrobenzo[10]annulene?
(5E)-7,8,9,10,11,12-hexahydrobenzo[10]annulene has a molecular weight of 186.30 g/mol, XLogP of 4.21, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-7,8,9,10,11,12-hexahydrobenzo[10]annulene is sourced from PubChem (CID 134982097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).