1,4-dipropyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene

C17H26 — CID 139941681

IUPAC1,4-dipropyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene
SMILESCCCc1ccc(CCC)c2c1CCCCC2
InChIInChI=1S/C17H26/c1-3-8-14-12-13-15(9-4-2)17-11-7-5-6-10-16(14)17/h12-13H,3-11H2,1-2H3
InChIKeyMVVXEZZAVFBTBZ-UHFFFAOYSA-N
MW230.39 g/mol
LogP4.86
Rot. Bonds4

About 1,4-dipropyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene

1,4-dipropyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene (PubChem CID 139941681) has the molecular formula C17H26 and a molecular weight of 230.39 g/mol. Its IUPAC name is 1,4-dipropyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene.

Molecular Properties

Compound Name1,4-dipropyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene
PubChem CID139941681
Molecular FormulaC17H26
Molecular Weight230.39 g/mol
Exact Mass230.20
IUPAC Name1,4-dipropyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene
SMILESCCCc1ccc(CCC)c2c1CCCCC2
InChIInChI=1S/C17H26/c1-3-8-14-12-13-15(9-4-2)17-11-7-5-6-10-16(14)17/h12-13H,3-11H2,1-2H3
InChIKeyMVVXEZZAVFBTBZ-UHFFFAOYSA-N
XLogP4.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.39
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,4-dipropyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene?
The IUPAC name of 1,4-dipropyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene (CID 139941681) is 1,4-dipropyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene.
What is the SMILES notation for 1,4-dipropyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene?
The canonical SMILES for 1,4-dipropyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene is CCCc1ccc(CCC)c2c1CCCCC2.
What is the InChIKey of 1,4-dipropyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene?
The InChIKey is MVVXEZZAVFBTBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26/c1-3-8-14-12-13-15(9-4-2)17-11-7-5-6-10-16(14)17/h12-13H,3-11H2,1-2H3.
What are the key properties of 1,4-dipropyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene?
1,4-dipropyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene has a molecular weight of 230.39 g/mol, XLogP of 4.86, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dipropyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene is sourced from PubChem (CID 139941681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).