(5Z,7E)-7,8-bis(ethenyl)-3,4,9,10-tetrahydrobenzo[8]annulen-10-ol

C16H18O — CID 145053382

IUPAC(5Z,7E)-7,8-bis(ethenyl)-3,4,9,10-tetrahydrobenzo[8]annulen-10-ol
SMILESC=CC1=C(\C=C)CC(O)C2=C(\C=C/1)CCC=C2
InChIInChI=1S/C16H18O/c1-3-12-9-10-14-7-5-6-8-15(14)16(17)11-13(12)4-2/h3-4,6,8-10,16-17H,1-2,5,7,11H2/b10-9-,13-12-
InChIKeyFZJAKIMQSHHZLD-UTJQPWESSA-N
MW226.32 g/mol
LogP3.62
Rot. Bonds2

About (5Z,7E)-7,8-bis(ethenyl)-3,4,9,10-tetrahydrobenzo[8]annulen-10-ol

(5Z,7E)-7,8-bis(ethenyl)-3,4,9,10-tetrahydrobenzo[8]annulen-10-ol (PubChem CID 145053382) has the molecular formula C16H18O and a molecular weight of 226.32 g/mol. Its IUPAC name is (5Z,7E)-7,8-bis(ethenyl)-3,4,9,10-tetrahydrobenzo[8]annulen-10-ol.

Molecular Properties

Compound Name(5Z,7E)-7,8-bis(ethenyl)-3,4,9,10-tetrahydrobenzo[8]annulen-10-ol
PubChem CID145053382
Molecular FormulaC16H18O
Molecular Weight226.32 g/mol
Exact Mass226.14
IUPAC Name(5Z,7E)-7,8-bis(ethenyl)-3,4,9,10-tetrahydrobenzo[8]annulen-10-ol
SMILESC=CC1=C(\C=C)CC(O)C2=C(\C=C/1)CCC=C2
InChIInChI=1S/C16H18O/c1-3-12-9-10-14-7-5-6-8-15(14)16(17)11-13(12)4-2/h3-4,6,8-10,16-17H,1-2,5,7,11H2/b10-9-,13-12-
InChIKeyFZJAKIMQSHHZLD-UTJQPWESSA-N
XLogP3.62
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (5Z,7E)-7,8-bis(ethenyl)-3,4,9,10-tetrahydrobenzo[8]annulen-10-ol?
The IUPAC name of (5Z,7E)-7,8-bis(ethenyl)-3,4,9,10-tetrahydrobenzo[8]annulen-10-ol (CID 145053382) is (5Z,7E)-7,8-bis(ethenyl)-3,4,9,10-tetrahydrobenzo[8]annulen-10-ol.
What is the SMILES notation for (5Z,7E)-7,8-bis(ethenyl)-3,4,9,10-tetrahydrobenzo[8]annulen-10-ol?
The canonical SMILES for (5Z,7E)-7,8-bis(ethenyl)-3,4,9,10-tetrahydrobenzo[8]annulen-10-ol is C=CC1=C(\C=C)CC(O)C2=C(\C=C/1)CCC=C2.
What is the InChIKey of (5Z,7E)-7,8-bis(ethenyl)-3,4,9,10-tetrahydrobenzo[8]annulen-10-ol?
The InChIKey is FZJAKIMQSHHZLD-UTJQPWESSA-N. The full InChI is InChI=1S/C16H18O/c1-3-12-9-10-14-7-5-6-8-15(14)16(17)11-13(12)4-2/h3-4,6,8-10,16-17H,1-2,5,7,11H2/b10-9-,13-12-.
What are the key properties of (5Z,7E)-7,8-bis(ethenyl)-3,4,9,10-tetrahydrobenzo[8]annulen-10-ol?
(5Z,7E)-7,8-bis(ethenyl)-3,4,9,10-tetrahydrobenzo[8]annulen-10-ol has a molecular weight of 226.32 g/mol, XLogP of 3.62, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,7E)-7,8-bis(ethenyl)-3,4,9,10-tetrahydrobenzo[8]annulen-10-ol is sourced from PubChem (CID 145053382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).