(2-pentylcyclopropyl) formate

C9H16O2 — CID 57226190

IUPAC(2-pentylcyclopropyl) formate
SMILESCCCCCC1CC1OC=O
InChIInChI=1S/C9H16O2/c1-2-3-4-5-8-6-9(8)11-7-10/h7-9H,2-6H2,1H3
InChIKeyGXRSASIBWKFNFJ-UHFFFAOYSA-N
MW156.23 g/mol
LogP2.13
Rot. Bonds6

About (2-pentylcyclopropyl) formate

(2-pentylcyclopropyl) formate (PubChem CID 57226190) has the molecular formula C9H16O2 and a molecular weight of 156.23 g/mol. Its IUPAC name is (2-pentylcyclopropyl) formate.

Molecular Properties

Compound Name(2-pentylcyclopropyl) formate
PubChem CID57226190
Molecular FormulaC9H16O2
Molecular Weight156.23 g/mol
Exact Mass156.12
IUPAC Name(2-pentylcyclopropyl) formate
SMILESCCCCCC1CC1OC=O
InChIInChI=1S/C9H16O2/c1-2-3-4-5-8-6-9(8)11-7-10/h7-9H,2-6H2,1H3
InChIKeyGXRSASIBWKFNFJ-UHFFFAOYSA-N
XLogP2.13
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(1S,2R)-4-ethoxy-2-[2-(2-pentyl-1,3-dioxolan-2-yl)ethyl]cyclopentyl] formate
CID 163694800
cis-(1S,2R)-2-icosylcyclopropane-1-carbaldehyde
CID 101227517
(4-pentylcyclohexyl) formate
CID 57022006
13-[(1S,2R)-2-icosylcyclopropyl]tridecanal
CID 11295341
1-hexyl-2-undecylcyclopropane
CID 58049498
1,2-dioctylcyclopropane
CID 21337627
trans-(1S,2S)-1-butyl-2-pentylcyclopropane
CID 91692463
(2-hexoxycyclopentyl) formate
CID 57110309
bis(4-methyl-2-pentylcyclohexyl) (E)-but-2-enedioate
CID 70276702
acetic acid;2-(2-octylcyclopropyl)acetic acid
CID 67849608
1-propyl-2-undecylcyclopropane
CID 123636027
1-methyl-2-pentadecylcyclopropane
CID 54385825

Frequently Asked Questions

What is the IUPAC name of (2-pentylcyclopropyl) formate?
The IUPAC name of (2-pentylcyclopropyl) formate (CID 57226190) is (2-pentylcyclopropyl) formate.
What is the SMILES notation for (2-pentylcyclopropyl) formate?
The canonical SMILES for (2-pentylcyclopropyl) formate is CCCCCC1CC1OC=O.
What is the InChIKey of (2-pentylcyclopropyl) formate?
The InChIKey is GXRSASIBWKFNFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-2-3-4-5-8-6-9(8)11-7-10/h7-9H,2-6H2,1H3.
What are the key properties of (2-pentylcyclopropyl) formate?
(2-pentylcyclopropyl) formate has a molecular weight of 156.23 g/mol, XLogP of 2.13, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-pentylcyclopropyl) formate is sourced from PubChem (CID 57226190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).