methane;6-propyl-5H-benzo[7]annulene

C15H20 — CID 143144118

IUPACmethane;6-propyl-5H-benzo[7]annulene
SMILESC.CCCC1=CC=Cc2ccccc2C1
InChIInChI=1S/C14H16.CH4/c1-2-6-12-7-5-10-13-8-3-4-9-14(13)11-12;/h3-5,7-10H,2,6,11H2,1H3;1H4
InChIKeyYNFXHXBKLZJUQN-UHFFFAOYSA-N
MW200.32 g/mol
LogP4.62
Rot. Bonds2

About methane;6-propyl-5H-benzo[7]annulene

methane;6-propyl-5H-benzo[7]annulene (PubChem CID 143144118) has the molecular formula C15H20 and a molecular weight of 200.32 g/mol. Its IUPAC name is methane;6-propyl-5H-benzo[7]annulene.

Molecular Properties

Compound Namemethane;6-propyl-5H-benzo[7]annulene
PubChem CID143144118
Molecular FormulaC15H20
Molecular Weight200.32 g/mol
Exact Mass200.16
IUPAC Namemethane;6-propyl-5H-benzo[7]annulene
SMILESC.CCCC1=CC=Cc2ccccc2C1
InChIInChI=1S/C14H16.CH4/c1-2-6-12-7-5-10-13-8-3-4-9-14(13)11-12;/h3-5,7-10H,2,6,11H2,1H3;1H4
InChIKeyYNFXHXBKLZJUQN-UHFFFAOYSA-N
XLogP4.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

5-propylcyclohexa-2,4-diene-1-thione
CID 173348425
1,4-dipropylcyclopenta-1,3-diene
CID 19391248
1-ethyl-4-propylcyclopenta-1,3-diene
CID 139667468
1H-indene;methane
CID 157370172
1H-indene;methane
CID 22114429
ethoxyethane;1H-indene
CID 86747629
1-(1H-inden-2-yl)-N-methylmethanamine
CID 22593771
9H-cyclopenta[b]naphthalene
CID 66779977
1-methyl-4-propylcyclopenta-1,3-diene
CID 18798459
2-(1H-inden-2-ylmethyl)-1H-indene;zirconium(2+);dichloride
CID 22726390
[3-(1H-inden-2-yl)-2-methylpropyl]phosphane
CID 158075760
6-[methyl(naphthalen-1-yl)phosphoryl]-5H-benzo[7]annulene
CID 145199135

Frequently Asked Questions

What is the IUPAC name of methane;6-propyl-5H-benzo[7]annulene?
The IUPAC name of methane;6-propyl-5H-benzo[7]annulene (CID 143144118) is methane;6-propyl-5H-benzo[7]annulene.
What is the SMILES notation for methane;6-propyl-5H-benzo[7]annulene?
The canonical SMILES for methane;6-propyl-5H-benzo[7]annulene is C.CCCC1=CC=Cc2ccccc2C1.
What is the InChIKey of methane;6-propyl-5H-benzo[7]annulene?
The InChIKey is YNFXHXBKLZJUQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16.CH4/c1-2-6-12-7-5-10-13-8-3-4-9-14(13)11-12;/h3-5,7-10H,2,6,11H2,1H3;1H4.
What are the key properties of methane;6-propyl-5H-benzo[7]annulene?
methane;6-propyl-5H-benzo[7]annulene has a molecular weight of 200.32 g/mol, XLogP of 4.62, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methane;6-propyl-5H-benzo[7]annulene is sourced from PubChem (CID 143144118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).