2-methoxycycloheptene-1-carbaldehyde

C9H14O2 — CID 14143561

IUPAC2-methoxycycloheptene-1-carbaldehyde
SMILESCOC1=C(C=O)CCCCC1
InChIInChI=1S/C9H14O2/c1-11-9-6-4-2-3-5-8(9)7-10/h7H,2-6H2,1H3
InChIKeyKSBOXGGMZKFQGD-UHFFFAOYSA-N
MW154.21 g/mol
LogP2.05
Rot. Bonds2

About 2-methoxycycloheptene-1-carbaldehyde

2-methoxycycloheptene-1-carbaldehyde (PubChem CID 14143561) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is 2-methoxycycloheptene-1-carbaldehyde.

Molecular Properties

Compound Name2-methoxycycloheptene-1-carbaldehyde
PubChem CID14143561
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name2-methoxycycloheptene-1-carbaldehyde
SMILESCOC1=C(C=O)CCCCC1
InChIInChI=1S/C9H14O2/c1-11-9-6-4-2-3-5-8(9)7-10/h7H,2-6H2,1H3
InChIKeyKSBOXGGMZKFQGD-UHFFFAOYSA-N
XLogP2.05
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(cyclopentylidenemethyl)cyclohexene-1-carbaldehyde
CID 102254884
2-(3-oxobutan-2-yl)cycloheptene-1-carbaldehyde
CID 12764656
2-trimethylstannylcyclopentene-1-carbaldehyde
CID 15370367
1-ethynyl-2-methoxycyclohexene
CID 135048965
2,3-dimethoxycyclohex-2-en-1-one
CID 130030041
2-ethenyl-3-methoxycyclohex-2-en-1-one
CID 45116896
(1E)-2-azidocyclohexadecene-1-carbaldehyde
CID 102182255
1-methoxy-5,6,7,8-tetrahydronaphthalene-2-carbaldehyde
CID 117273377
2,3,4-trimethylcyclohexa-1,3-diene-1-carbaldehyde
CID 87516432
4-hydroxy-2,3-dimethoxy-4-(2-methoxycyclohexen-1-yl)cyclobut-2-en-1-one
CID 102153604
methyl (E)-3-(2-methylcyclohexen-1-yl)prop-2-enoate
CID 13449438
1,2-bis[(Z)-prop-1-enyl]cyclohexene;ethane
CID 144583134

Frequently Asked Questions

What is the IUPAC name of 2-methoxycycloheptene-1-carbaldehyde?
The IUPAC name of 2-methoxycycloheptene-1-carbaldehyde (CID 14143561) is 2-methoxycycloheptene-1-carbaldehyde.
What is the SMILES notation for 2-methoxycycloheptene-1-carbaldehyde?
The canonical SMILES for 2-methoxycycloheptene-1-carbaldehyde is COC1=C(C=O)CCCCC1.
What is the InChIKey of 2-methoxycycloheptene-1-carbaldehyde?
The InChIKey is KSBOXGGMZKFQGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c1-11-9-6-4-2-3-5-8(9)7-10/h7H,2-6H2,1H3.
What are the key properties of 2-methoxycycloheptene-1-carbaldehyde?
2-methoxycycloheptene-1-carbaldehyde has a molecular weight of 154.21 g/mol, XLogP of 2.05, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxycycloheptene-1-carbaldehyde is sourced from PubChem (CID 14143561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).