(6Z)-11-propan-2-yl-8,9,10,11-tetrahydro-5H-benzo[9]annulene

C16H22 — CID 170538993

IUPAC(6Z)-11-propan-2-yl-8,9,10,11-tetrahydro-5H-benzo[9]annulene
SMILESCC(C)C1CCC/C=C\Cc2ccccc21
InChIInChI=1S/C16H22/c1-13(2)15-11-6-4-3-5-9-14-10-7-8-12-16(14)15/h3,5,7-8,10,12-13,15H,4,6,9,11H2,1-2H3/b5-3-
InChIKeyKLFBHCPNOFHMKP-HYXAFXHYSA-N
MW214.35 g/mol
LogP4.71
Rot. Bonds1

About (6Z)-11-propan-2-yl-8,9,10,11-tetrahydro-5H-benzo[9]annulene

(6Z)-11-propan-2-yl-8,9,10,11-tetrahydro-5H-benzo[9]annulene (PubChem CID 170538993) has the molecular formula C16H22 and a molecular weight of 214.35 g/mol. Its IUPAC name is (6Z)-11-propan-2-yl-8,9,10,11-tetrahydro-5H-benzo[9]annulene.

Molecular Properties

Compound Name(6Z)-11-propan-2-yl-8,9,10,11-tetrahydro-5H-benzo[9]annulene
PubChem CID170538993
Molecular FormulaC16H22
Molecular Weight214.35 g/mol
Exact Mass214.17
IUPAC Name(6Z)-11-propan-2-yl-8,9,10,11-tetrahydro-5H-benzo[9]annulene
SMILESCC(C)C1CCC/C=C\Cc2ccccc21
InChIInChI=1S/C16H22/c1-13(2)15-11-6-4-3-5-9-14-10-7-8-12-16(14)15/h3,5,7-8,10,12-13,15H,4,6,9,11H2,1-2H3/b5-3-
InChIKeyKLFBHCPNOFHMKP-HYXAFXHYSA-N
XLogP4.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (6Z)-11-propan-2-yl-8,9,10,11-tetrahydro-5H-benzo[9]annulene with MolForge

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Related Compounds

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CID 144539733
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CID 59961726
1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanol
CID 63247593
1-propan-2-yl-4-tritio-2,3-dihydro-1H-indene
CID 155790145
7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2-cyclobutylphenyl)methanol
CID 114602257
6-methyl-1-propan-2-yl-1,2,3,4-tetrahydronaphthalene
CID 59559014
1-(2,3-dihydro-1H-inden-1-yl)ethanamine
CID 23332534
2-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 140759820
(8R)-8-propan-2-yl-5,6,7,8-tetrahydroquinoline
CID 58752937
1-chloro-5-propan-2-yl-6,7,8,9-tetrahydro-5H-benzo[7]annulene
CID 171768970
N-ethyl-2-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-1-amine
CID 55175096
1,4-dihydronaphthalen-1-yl(trimethyl)silane
CID 13159062

Frequently Asked Questions

What is the IUPAC name of (6Z)-11-propan-2-yl-8,9,10,11-tetrahydro-5H-benzo[9]annulene?
The IUPAC name of (6Z)-11-propan-2-yl-8,9,10,11-tetrahydro-5H-benzo[9]annulene (CID 170538993) is (6Z)-11-propan-2-yl-8,9,10,11-tetrahydro-5H-benzo[9]annulene.
What is the SMILES notation for (6Z)-11-propan-2-yl-8,9,10,11-tetrahydro-5H-benzo[9]annulene?
The canonical SMILES for (6Z)-11-propan-2-yl-8,9,10,11-tetrahydro-5H-benzo[9]annulene is CC(C)C1CCC/C=C\Cc2ccccc21.
What is the InChIKey of (6Z)-11-propan-2-yl-8,9,10,11-tetrahydro-5H-benzo[9]annulene?
The InChIKey is KLFBHCPNOFHMKP-HYXAFXHYSA-N. The full InChI is InChI=1S/C16H22/c1-13(2)15-11-6-4-3-5-9-14-10-7-8-12-16(14)15/h3,5,7-8,10,12-13,15H,4,6,9,11H2,1-2H3/b5-3-.
What are the key properties of (6Z)-11-propan-2-yl-8,9,10,11-tetrahydro-5H-benzo[9]annulene?
(6Z)-11-propan-2-yl-8,9,10,11-tetrahydro-5H-benzo[9]annulene has a molecular weight of 214.35 g/mol, XLogP of 4.71, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-11-propan-2-yl-8,9,10,11-tetrahydro-5H-benzo[9]annulene is sourced from PubChem (CID 170538993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).