7-cycloheptylheptanoic acid

C14H26O2 — CID 135077063

IUPAC7-cycloheptylheptanoic acid
SMILESO=C(O)CCCCCCC1CCCCCC1
InChIInChI=1S/C14H26O2/c15-14(16)12-8-4-3-7-11-13-9-5-1-2-6-10-13/h13H,1-12H2,(H,15,16)
InChIKeyYVPPKSXIUAPMNL-UHFFFAOYSA-N
MW226.36 g/mol
LogP4.38
Rot. Bonds7

About 7-cycloheptylheptanoic acid

7-cycloheptylheptanoic acid (PubChem CID 135077063) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is 7-cycloheptylheptanoic acid.

Molecular Properties

Compound Name7-cycloheptylheptanoic acid
PubChem CID135077063
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Name7-cycloheptylheptanoic acid
SMILESO=C(O)CCCCCCC1CCCCCC1
InChIInChI=1S/C14H26O2/c15-14(16)12-8-4-3-7-11-13-9-5-1-2-6-10-13/h13H,1-12H2,(H,15,16)
InChIKeyYVPPKSXIUAPMNL-UHFFFAOYSA-N
XLogP4.38
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

7-cyclohexylheptanoic acid
CID 71560336
19-cyclohexylnonadecanoic acid
CID 71352938
8-cyclooctyloctanoic acid
CID 142719661
8-cyclobutyloctanoic acid
CID 72551210
12-[(8E)-cyclohexadec-8-en-1-yl]dodecanoic acid
CID 67740189
11-(3-deuteriocycloheptyl)(1113C)undecanoic acid
CID 10565022
(Z)-18-cyclohexyloctadec-9-enoic acid
CID 70304704
11-(3-deuteriocycloheptyl)undecanoic acid
CID 10731719
4-cyclohexylbutanoic acid;λ2-plumbane
CID 173062750
CID 131865884
CID 131865884
18-cyclohexyloctadecanamide
CID 70490920
5-(3-cyclopentylpropylamino)pentanoic acid
CID 106004168

Frequently Asked Questions

What is the IUPAC name of 7-cycloheptylheptanoic acid?
The IUPAC name of 7-cycloheptylheptanoic acid (CID 135077063) is 7-cycloheptylheptanoic acid.
What is the SMILES notation for 7-cycloheptylheptanoic acid?
The canonical SMILES for 7-cycloheptylheptanoic acid is O=C(O)CCCCCCC1CCCCCC1.
What is the InChIKey of 7-cycloheptylheptanoic acid?
The InChIKey is YVPPKSXIUAPMNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2/c15-14(16)12-8-4-3-7-11-13-9-5-1-2-6-10-13/h13H,1-12H2,(H,15,16).
What are the key properties of 7-cycloheptylheptanoic acid?
7-cycloheptylheptanoic acid has a molecular weight of 226.36 g/mol, XLogP of 4.38, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cycloheptylheptanoic acid is sourced from PubChem (CID 135077063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).