cyclopropylmethyl hex-3-enoate

C10H16O2 — CID 67151258

IUPACcyclopropylmethyl hex-3-enoate
SMILESCCC=CCC(=O)OCC1CC1
InChIInChI=1S/C10H16O2/c1-2-3-4-5-10(11)12-8-9-6-7-9/h3-4,9H,2,5-8H2,1H3
InChIKeyMHKKFRQKYWBFON-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.30
Rot. Bonds5

About cyclopropylmethyl hex-3-enoate

cyclopropylmethyl hex-3-enoate (PubChem CID 67151258) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is cyclopropylmethyl hex-3-enoate.

Molecular Properties

Compound Namecyclopropylmethyl hex-3-enoate
PubChem CID67151258
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Namecyclopropylmethyl hex-3-enoate
SMILESCCC=CCC(=O)OCC1CC1
InChIInChI=1S/C10H16O2/c1-2-3-4-5-10(11)12-8-9-6-7-9/h3-4,9H,2,5-8H2,1H3
InChIKeyMHKKFRQKYWBFON-UHFFFAOYSA-N
XLogP2.30
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

cis-3-Hexenyl propionate
CID 5365049
Hexenyl isobutanoate, (3Z)-
CID 5352539
cis-3-Hexenyl butanoate
CID 5352438
3-Hexenyl 2-methylbutyrate, (3Z)-
CID 5365069
3-Hexenyl isovalerate, (3Z)-
CID 5367681
Hex-3Z-enyl hex-3Z-enoate
CID 6435882
(Z)-hex-3-enyl isobutyrate
CID 93832
Ethyl 3-hexenoate
CID 5362622
Ethyl 3-hexenoate, (3Z)-
CID 5362623
3-Hexenyl 2-methylbutyrate
CID 61467
3,6-Nonadienyl acetate, (3E,6Z)-
CID 71587638
3-Hexenyl butyrate, (3E)-
CID 5352331

Frequently Asked Questions

What is the IUPAC name of cyclopropylmethyl hex-3-enoate?
The IUPAC name of cyclopropylmethyl hex-3-enoate (CID 67151258) is cyclopropylmethyl hex-3-enoate.
What is the SMILES notation for cyclopropylmethyl hex-3-enoate?
The canonical SMILES for cyclopropylmethyl hex-3-enoate is CCC=CCC(=O)OCC1CC1.
What is the InChIKey of cyclopropylmethyl hex-3-enoate?
The InChIKey is MHKKFRQKYWBFON-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-2-3-4-5-10(11)12-8-9-6-7-9/h3-4,9H,2,5-8H2,1H3.
What are the key properties of cyclopropylmethyl hex-3-enoate?
cyclopropylmethyl hex-3-enoate has a molecular weight of 168.24 g/mol, XLogP of 2.30, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropylmethyl hex-3-enoate is sourced from PubChem (CID 67151258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).