2,3-dipropyl-1,4-dioxacyclotetradecane-5,14-dione

C18H32O4 — CID 139948458

IUPAC2,3-dipropyl-1,4-dioxacyclotetradecane-5,14-dione
SMILESCCCC1OC(=O)CCCCCCCCC(=O)OC1CCC
InChIInChI=1S/C18H32O4/c1-3-11-15-16(12-4-2)22-18(20)14-10-8-6-5-7-9-13-17(19)21-15/h15-16H,3-14H2,1-2H3
InChIKeyPMVOVVBPBMKEMQ-UHFFFAOYSA-N
MW312.45 g/mol
LogP4.54
Rot. Bonds4

About 2,3-dipropyl-1,4-dioxacyclotetradecane-5,14-dione

2,3-dipropyl-1,4-dioxacyclotetradecane-5,14-dione (PubChem CID 139948458) has the molecular formula C18H32O4 and a molecular weight of 312.45 g/mol. Its IUPAC name is 2,3-dipropyl-1,4-dioxacyclotetradecane-5,14-dione.

Molecular Properties

Compound Name2,3-dipropyl-1,4-dioxacyclotetradecane-5,14-dione
PubChem CID139948458
Molecular FormulaC18H32O4
Molecular Weight312.45 g/mol
Exact Mass312.23
IUPAC Name2,3-dipropyl-1,4-dioxacyclotetradecane-5,14-dione
SMILESCCCC1OC(=O)CCCCCCCCC(=O)OC1CCC
InChIInChI=1S/C18H32O4/c1-3-11-15-16(12-4-2)22-18(20)14-10-8-6-5-7-9-13-17(19)21-15/h15-16H,3-14H2,1-2H3
InChIKeyPMVOVVBPBMKEMQ-UHFFFAOYSA-N
XLogP4.54
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.45
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

13-propyl-oxacyclotridecan-2-one
CID 54410072
(2R,3S,4S,5E)-3,4-dihydroxy-2-propyl-2,3,4,7,8,9-hexahydrooxecin-10-one
CID 10751829
(2S,3R,4S,5E)-3,4-dihydroxy-2-propyl-2,3,4,7,8,9-hexahydrooxecin-10-one
CID 146682788
(3R,5E)-3-hydroxy-2-propyl-3,7,8,9-tetrahydro-2H-oxecine-4,10-dione
CID 134832988
(2R,3S,5E)-3-hydroxy-2-propyl-3,7,8,9-tetrahydro-2H-oxecine-4,10-dione
CID 162994376
(10Z)-16-propyl-1-oxacyclohexadec-10-en-2-one
CID 165161767
8-octyloxocan-2-one
CID 90108064
(9R)-9-ethyloxonan-2-one
CID 54340758
16-ethyl-oxacyclohexadecan-2-one
CID 71324140
2-ethyl-1,3-dioxocane-4,8-dione
CID 154262703
(5R,6S)-5-iodo-6-pentyloxan-2-one
CID 132521395
(3aR,10Z,11aS)-2,2-dimethyl-4-propyl-3a,4,7,8,9,11a-hexahydro-[1,3]dioxolo[4,5-c]oxecin-6-one
CID 177412145

Frequently Asked Questions

What is the IUPAC name of 2,3-dipropyl-1,4-dioxacyclotetradecane-5,14-dione?
The IUPAC name of 2,3-dipropyl-1,4-dioxacyclotetradecane-5,14-dione (CID 139948458) is 2,3-dipropyl-1,4-dioxacyclotetradecane-5,14-dione.
What is the SMILES notation for 2,3-dipropyl-1,4-dioxacyclotetradecane-5,14-dione?
The canonical SMILES for 2,3-dipropyl-1,4-dioxacyclotetradecane-5,14-dione is CCCC1OC(=O)CCCCCCCCC(=O)OC1CCC.
What is the InChIKey of 2,3-dipropyl-1,4-dioxacyclotetradecane-5,14-dione?
The InChIKey is PMVOVVBPBMKEMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32O4/c1-3-11-15-16(12-4-2)22-18(20)14-10-8-6-5-7-9-13-17(19)21-15/h15-16H,3-14H2,1-2H3.
What are the key properties of 2,3-dipropyl-1,4-dioxacyclotetradecane-5,14-dione?
2,3-dipropyl-1,4-dioxacyclotetradecane-5,14-dione has a molecular weight of 312.45 g/mol, XLogP of 4.54, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dipropyl-1,4-dioxacyclotetradecane-5,14-dione is sourced from PubChem (CID 139948458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).