(3R,7S)-3,7-diethoxycycloheptene

C11H20O2 — CID 13244919

IUPAC(3R,7S)-3,7-diethoxycycloheptene
SMILESCCO[C@@H]1C=C[C@H](OCC)CCC1
InChIInChI=1S/C11H20O2/c1-3-12-10-6-5-7-11(9-8-10)13-4-2/h8-11H,3-7H2,1-2H3/t10-,11+
InChIKeyRVCKVAUKPURAEB-PHIMTYICSA-N
MW184.28 g/mol
LogP2.54
Rot. Bonds4

About (3R,7S)-3,7-diethoxycycloheptene

(3R,7S)-3,7-diethoxycycloheptene (PubChem CID 13244919) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is (3R,7S)-3,7-diethoxycycloheptene.

Molecular Properties

Compound Name(3R,7S)-3,7-diethoxycycloheptene
PubChem CID13244919
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name(3R,7S)-3,7-diethoxycycloheptene
SMILESCCO[C@@H]1C=C[C@H](OCC)CCC1
InChIInChI=1S/C11H20O2/c1-3-12-10-6-5-7-11(9-8-10)13-4-2/h8-11H,3-7H2,1-2H3/t10-,11+
InChIKeyRVCKVAUKPURAEB-PHIMTYICSA-N
XLogP2.54
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.54
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

(1S,4S)-4-triethylsilyloxycyclohept-2-en-1-ol
CID 135042426
trans-(1R,2R)-1,2-diethoxycyclohexane
CID 13170081
ethoxycyclooctane
CID 13427982
3-ethoxy-2,3-dihydropyridine
CID 123387428
3-(3-methoxypropoxy)cyclohexene
CID 141179589
3-but-2-ynoxycyclohexene
CID 15890715
2-ethoxycyclopentan-1-amine
CID 16792821
trans-(1R,2R)-1-ethoxy-2-iodocyclopentane
CID 138481777
1-(2-ethoxycyclopentyl)oxypropan-2-ol
CID 89392618
(5S)-5-ethoxy-2-methylcyclohexa-1,3-diene
CID 89420040
azane;ethoxycyclooctane
CID 70271275
2-ethoxycyclooctan-1-ol
CID 18953000

Frequently Asked Questions

What is the IUPAC name of (3R,7S)-3,7-diethoxycycloheptene?
The IUPAC name of (3R,7S)-3,7-diethoxycycloheptene (CID 13244919) is (3R,7S)-3,7-diethoxycycloheptene.
What is the SMILES notation for (3R,7S)-3,7-diethoxycycloheptene?
The canonical SMILES for (3R,7S)-3,7-diethoxycycloheptene is CCO[C@@H]1C=C[C@H](OCC)CCC1.
What is the InChIKey of (3R,7S)-3,7-diethoxycycloheptene?
The InChIKey is RVCKVAUKPURAEB-PHIMTYICSA-N. The full InChI is InChI=1S/C11H20O2/c1-3-12-10-6-5-7-11(9-8-10)13-4-2/h8-11H,3-7H2,1-2H3/t10-,11+.
What are the key properties of (3R,7S)-3,7-diethoxycycloheptene?
(3R,7S)-3,7-diethoxycycloheptene has a molecular weight of 184.28 g/mol, XLogP of 2.54, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,7S)-3,7-diethoxycycloheptene is sourced from PubChem (CID 13244919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).