1-(cycloocten-1-yl)-2-methoxy-2-methylbutan-1-one

C14H24O2 — CID 106652243

IUPAC1-(cycloocten-1-yl)-2-methoxy-2-methylbutan-1-one
SMILESCCC(C)(OC)C(=O)C1=CCCCCCC1
InChIInChI=1S/C14H24O2/c1-4-14(2,16-3)13(15)12-10-8-6-5-7-9-11-12/h10H,4-9,11H2,1-3H3
InChIKeyLPCPBXVZAHZZJK-UHFFFAOYSA-N
MW224.34 g/mol
LogP3.65
Rot. Bonds4

About 1-(cycloocten-1-yl)-2-methoxy-2-methylbutan-1-one

1-(cycloocten-1-yl)-2-methoxy-2-methylbutan-1-one (PubChem CID 106652243) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is 1-(cycloocten-1-yl)-2-methoxy-2-methylbutan-1-one.

Molecular Properties

Compound Name1-(cycloocten-1-yl)-2-methoxy-2-methylbutan-1-one
PubChem CID106652243
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name1-(cycloocten-1-yl)-2-methoxy-2-methylbutan-1-one
SMILESCCC(C)(OC)C(=O)C1=CCCCCCC1
InChIInChI=1S/C14H24O2/c1-4-14(2,16-3)13(15)12-10-8-6-5-7-9-11-12/h10H,4-9,11H2,1-3H3
InChIKeyLPCPBXVZAHZZJK-UHFFFAOYSA-N
XLogP3.65
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 71434663
1-(Cyclohexen-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 106656112
1-Methoxybicyclo[2.2.2]octenone
CID 129668738
Bbbfciwralhcai-uhfffaoysa-
CID 12129273
3-(3-Methoxy-3-methylbutyl)-5-methylcyclohex-5-en-1-one
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3-(6-Methoxy-2,6-dimethylheptyl)cyclopent-2-en-1-one
CID 13888150
2-Methoxy-6-octylcyclohexa-2,5-diene-1,4-dione
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CID 91400266

Frequently Asked Questions

What is the IUPAC name of 1-(cycloocten-1-yl)-2-methoxy-2-methylbutan-1-one?
The IUPAC name of 1-(cycloocten-1-yl)-2-methoxy-2-methylbutan-1-one (CID 106652243) is 1-(cycloocten-1-yl)-2-methoxy-2-methylbutan-1-one.
What is the SMILES notation for 1-(cycloocten-1-yl)-2-methoxy-2-methylbutan-1-one?
The canonical SMILES for 1-(cycloocten-1-yl)-2-methoxy-2-methylbutan-1-one is CCC(C)(OC)C(=O)C1=CCCCCCC1.
What is the InChIKey of 1-(cycloocten-1-yl)-2-methoxy-2-methylbutan-1-one?
The InChIKey is LPCPBXVZAHZZJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2/c1-4-14(2,16-3)13(15)12-10-8-6-5-7-9-11-12/h10H,4-9,11H2,1-3H3.
What are the key properties of 1-(cycloocten-1-yl)-2-methoxy-2-methylbutan-1-one?
1-(cycloocten-1-yl)-2-methoxy-2-methylbutan-1-one has a molecular weight of 224.34 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cycloocten-1-yl)-2-methoxy-2-methylbutan-1-one is sourced from PubChem (CID 106652243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).