4-methoxy-2,3-dipropylcyclohepta-2,4-dien-1-one

C14H22O2 — CID 11074980

IUPAC4-methoxy-2,3-dipropylcyclohepta-2,4-dien-1-one
SMILESCCCC1=C(CCC)C(OC)=CCCC1=O
InChIInChI=1S/C14H22O2/c1-4-7-11-12(8-5-2)14(16-3)10-6-9-13(11)15/h10H,4-9H2,1-3H3
InChIKeyMUZJBARKBBKHMW-UHFFFAOYSA-N
MW222.33 g/mol
LogP3.78
Rot. Bonds5

About 4-methoxy-2,3-dipropylcyclohepta-2,4-dien-1-one

4-methoxy-2,3-dipropylcyclohepta-2,4-dien-1-one (PubChem CID 11074980) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 4-methoxy-2,3-dipropylcyclohepta-2,4-dien-1-one.

Molecular Properties

Compound Name4-methoxy-2,3-dipropylcyclohepta-2,4-dien-1-one
PubChem CID11074980
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name4-methoxy-2,3-dipropylcyclohepta-2,4-dien-1-one
SMILESCCCC1=C(CCC)C(OC)=CCCC1=O
InChIInChI=1S/C14H22O2/c1-4-7-11-12(8-5-2)14(16-3)10-6-9-13(11)15/h10H,4-9H2,1-3H3
InChIKeyMUZJBARKBBKHMW-UHFFFAOYSA-N
XLogP3.78
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 17971178
3,6-Dibutyl-4-methoxycyclohexa-3,5-diene-1,2-dione
CID 17971596
2,3-Dibutyl-4-methoxycyclohexa-2,4-dien-1-one
CID 67345072
5-ethoxy-3,4,7,8-tetrahydro-2H-naphthalen-1-one
CID 89207701
(6E,8E)-9-methoxy-6-methylundeca-6,8,10-trien-5-one
CID 89575310
(3Z,5E)-2-methoxy-3-methyl-5-propylideneundeca-1,3-dien-6-one
CID 129296017
3-[(1E)-2-methoxybuta-1,3-dienyl]-2-methylcyclohex-2-en-1-one
CID 130291375
(Z)-4-ethyl-3-[(E)-1-methoxybut-1-enyl]hept-3-en-2-one
CID 131992949
7-Methoxy-1,2,3,9-tetrahydrobenzo[7]annulen-4-one
CID 139815344
4-Butyl-3-methoxycyclohexa-2,4-dien-1-one
CID 141398364
(7Z,8E)-7-ethylidene-8-methoxyundeca-8,10-dien-4-one
CID 141951409
ethane;3-[(1Z)-3-methoxybuta-1,3-dienyl]-2-methylcyclohex-2-en-1-one
CID 143139124

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2,3-dipropylcyclohepta-2,4-dien-1-one?
The IUPAC name of 4-methoxy-2,3-dipropylcyclohepta-2,4-dien-1-one (CID 11074980) is 4-methoxy-2,3-dipropylcyclohepta-2,4-dien-1-one.
What is the SMILES notation for 4-methoxy-2,3-dipropylcyclohepta-2,4-dien-1-one?
The canonical SMILES for 4-methoxy-2,3-dipropylcyclohepta-2,4-dien-1-one is CCCC1=C(CCC)C(OC)=CCCC1=O.
What is the InChIKey of 4-methoxy-2,3-dipropylcyclohepta-2,4-dien-1-one?
The InChIKey is MUZJBARKBBKHMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2/c1-4-7-11-12(8-5-2)14(16-3)10-6-9-13(11)15/h10H,4-9H2,1-3H3.
What are the key properties of 4-methoxy-2,3-dipropylcyclohepta-2,4-dien-1-one?
4-methoxy-2,3-dipropylcyclohepta-2,4-dien-1-one has a molecular weight of 222.33 g/mol, XLogP of 3.78, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2,3-dipropylcyclohepta-2,4-dien-1-one is sourced from PubChem (CID 11074980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).