7-(2-cyclopropylcyclopropyl)heptanoic acid

C13H22O2 — CID 85185916

IUPAC7-(2-cyclopropylcyclopropyl)heptanoic acid
SMILESO=C(O)CCCCCCC1CC1C1CC1
InChIInChI=1S/C13H22O2/c14-13(15)6-4-2-1-3-5-11-9-12(11)10-7-8-10/h10-12H,1-9H2,(H,14,15)
InChIKeyOBHSDCAKSCQWNG-UHFFFAOYSA-N
MW210.32 g/mol
LogP3.46
Rot. Bonds8

About 7-(2-cyclopropylcyclopropyl)heptanoic acid

7-(2-cyclopropylcyclopropyl)heptanoic acid (PubChem CID 85185916) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is 7-(2-cyclopropylcyclopropyl)heptanoic acid.

Molecular Properties

Compound Name7-(2-cyclopropylcyclopropyl)heptanoic acid
PubChem CID85185916
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name7-(2-cyclopropylcyclopropyl)heptanoic acid
SMILESO=C(O)CCCCCCC1CC1C1CC1
InChIInChI=1S/C13H22O2/c14-13(15)6-4-2-1-3-5-11-9-12(11)10-7-8-10/h10-12H,1-9H2,(H,14,15)
InChIKeyOBHSDCAKSCQWNG-UHFFFAOYSA-N
XLogP3.46
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 53.46
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

5-(2-bicyclo[3.2.1]octanyl)pentanoic acid
CID 21325432
8-[1-(7-carboxyheptyl)-6,7-dipentyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]octanoic acid
CID 20626771
8-[(1R,2S)-2-hexylcyclopropyl]octanoic acid
CID 14345320
10-(2-butylcyclopropyl)decanoic acid
CID 71374776
7-(3-amino-2-bicyclo[2.2.1]heptanyl)heptanoic acid
CID 18377070
5-(1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracen-2-yl)pentanoic acid
CID 157040286
5-[(2S)-oxiran-2-yl]pentanoic acid
CID 124512995
13-(2-sulfanylcyclopentyl)tridecanoic acid
CID 87483941
8-cyclobutyloctanoic acid
CID 72551210
7-[(1S,2S,5R)-2-cyclohexyl-5-hydroxycyclopentyl]heptanoic acid
CID 102007417
5-(2-aminocyclopentyl)pentanoic acid
CID 163221565
5-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)pentanoic acid
CID 90477996

Frequently Asked Questions

What is the IUPAC name of 7-(2-cyclopropylcyclopropyl)heptanoic acid?
The IUPAC name of 7-(2-cyclopropylcyclopropyl)heptanoic acid (CID 85185916) is 7-(2-cyclopropylcyclopropyl)heptanoic acid.
What is the SMILES notation for 7-(2-cyclopropylcyclopropyl)heptanoic acid?
The canonical SMILES for 7-(2-cyclopropylcyclopropyl)heptanoic acid is O=C(O)CCCCCCC1CC1C1CC1.
What is the InChIKey of 7-(2-cyclopropylcyclopropyl)heptanoic acid?
The InChIKey is OBHSDCAKSCQWNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O2/c14-13(15)6-4-2-1-3-5-11-9-12(11)10-7-8-10/h10-12H,1-9H2,(H,14,15).
What are the key properties of 7-(2-cyclopropylcyclopropyl)heptanoic acid?
7-(2-cyclopropylcyclopropyl)heptanoic acid has a molecular weight of 210.32 g/mol, XLogP of 3.46, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-cyclopropylcyclopropyl)heptanoic acid is sourced from PubChem (CID 85185916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).