1-[(1-pentylcyclopropyl)methoxy]cyclohexane-1-carboxylic acid

C16H28O3 — CID 67814257

IUPAC1-[(1-pentylcyclopropyl)methoxy]cyclohexane-1-carboxylic acid
SMILESCCCCCC1(COC2(C(=O)O)CCCCC2)CC1
InChIInChI=1S/C16H28O3/c1-2-3-5-8-15(11-12-15)13-19-16(14(17)18)9-6-4-7-10-16/h2-13H2,1H3,(H,17,18)
InChIKeyYOVDQYBNKAPNFD-UHFFFAOYSA-N
MW268.40 g/mol
LogP4.15
Rot. Bonds8

About 1-[(1-pentylcyclopropyl)methoxy]cyclohexane-1-carboxylic acid

1-[(1-pentylcyclopropyl)methoxy]cyclohexane-1-carboxylic acid (PubChem CID 67814257) has the molecular formula C16H28O3 and a molecular weight of 268.40 g/mol. Its IUPAC name is 1-[(1-pentylcyclopropyl)methoxy]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(1-pentylcyclopropyl)methoxy]cyclohexane-1-carboxylic acid
PubChem CID67814257
Molecular FormulaC16H28O3
Molecular Weight268.40 g/mol
Exact Mass268.20
IUPAC Name1-[(1-pentylcyclopropyl)methoxy]cyclohexane-1-carboxylic acid
SMILESCCCCCC1(COC2(C(=O)O)CCCCC2)CC1
InChIInChI=1S/C16H28O3/c1-2-3-5-8-15(11-12-15)13-19-16(14(17)18)9-6-4-7-10-16/h2-13H2,1H3,(H,17,18)
InChIKeyYOVDQYBNKAPNFD-UHFFFAOYSA-N
XLogP4.15
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-butoxyethoxy)cyclopentane-1-carboxylic acid
CID 114990948
2-(1-tetradecylcyclohexyl)acetic acid
CID 172766747
1-octylcyclononane-1-carboxylic acid
CID 71245674
1-nonylcyclooctane-1-carboxylic acid
CID 80609308
1,1-dipentylcyclononane
CID 169026027
(1-heptylcyclooctyl)methyl prop-2-enoate
CID 141276074
(1-hexylcyclohexyl)methanol
CID 66024993
(1-pentylcyclobutyl)methyl prop-2-enoate
CID 141276106
1-hexyl-1-(methoxymethyl)cyclopentane
CID 143807105
2-(1-dodecylcyclopropyl)acetic acid
CID 21495392
methyl 8-(1-heptylcyclohexyl)octanoate
CID 118260042
1-(2-hydroxyethoxy)cyclooctane-1-carboxylic acid
CID 83226715

Frequently Asked Questions

What is the IUPAC name of 1-[(1-pentylcyclopropyl)methoxy]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[(1-pentylcyclopropyl)methoxy]cyclohexane-1-carboxylic acid (CID 67814257) is 1-[(1-pentylcyclopropyl)methoxy]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[(1-pentylcyclopropyl)methoxy]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[(1-pentylcyclopropyl)methoxy]cyclohexane-1-carboxylic acid is CCCCCC1(COC2(C(=O)O)CCCCC2)CC1.
What is the InChIKey of 1-[(1-pentylcyclopropyl)methoxy]cyclohexane-1-carboxylic acid?
The InChIKey is YOVDQYBNKAPNFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O3/c1-2-3-5-8-15(11-12-15)13-19-16(14(17)18)9-6-4-7-10-16/h2-13H2,1H3,(H,17,18).
What are the key properties of 1-[(1-pentylcyclopropyl)methoxy]cyclohexane-1-carboxylic acid?
1-[(1-pentylcyclopropyl)methoxy]cyclohexane-1-carboxylic acid has a molecular weight of 268.40 g/mol, XLogP of 4.15, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-pentylcyclopropyl)methoxy]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 67814257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).