(1R,4R,6S)-4,6-diethoxybicyclo[3.1.0]hex-2-ene

C10H16O2 — CID 22298145

IUPAC(1R,4R,6S)-4,6-diethoxybicyclo[3.1.0]hex-2-ene
SMILESCCO[C@H]1[C@@H]2C=C[C@@H](OCC)[C@@H]21
InChIInChI=1S/C10H16O2/c1-3-11-8-6-5-7-9(8)10(7)12-4-2/h5-10H,3-4H2,1-2H3/t7-,8-,9-,10+/m1/s1
InChIKeyMHEIYUAZDKFNCB-KYXWUPHJSA-N
MW168.24 g/mol
LogP1.61
Rot. Bonds4

About (1R,4R,6S)-4,6-diethoxybicyclo[3.1.0]hex-2-ene

(1R,4R,6S)-4,6-diethoxybicyclo[3.1.0]hex-2-ene (PubChem CID 22298145) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is (1R,4R,6S)-4,6-diethoxybicyclo[3.1.0]hex-2-ene.

Molecular Properties

Compound Name(1R,4R,6S)-4,6-diethoxybicyclo[3.1.0]hex-2-ene
PubChem CID22298145
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name(1R,4R,6S)-4,6-diethoxybicyclo[3.1.0]hex-2-ene
SMILESCCO[C@H]1[C@@H]2C=C[C@@H](OCC)[C@@H]21
InChIInChI=1S/C10H16O2/c1-3-11-8-6-5-7-9(8)10(7)12-4-2/h5-10H,3-4H2,1-2H3/t7-,8-,9-,10+/m1/s1
InChIKeyMHEIYUAZDKFNCB-KYXWUPHJSA-N
XLogP1.61
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.61
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

(3aS,4S,7S,7aS)-4,7-diethoxy-2,2-dimethyl-3a,4,7,7a-tetrahydro-1,3-benzodioxole
CID 54365077
2-ethoxy-5-methylcyclohex-3-ene-1-carbaldehyde
CID 71400491
(3R,6S)-6-ethoxy-3,6-dihydro-2H-pyran-3-ol
CID 132567869
4-bromo-3-ethoxycyclohexene
CID 71435450
(3R,7S)-3,7-diethoxycycloheptene
CID 13244919
(1R,2R,3S,6S,7R,9S)-9-ethoxytricyclo[5.2.1.02,6]dec-4-en-3-ol
CID 131019224
2-(3-tricyclo[5.2.1.02,6]deca-4,8-dienyloxy)ethanol
CID 130128012
N-[(1R,4R,5S)-4,5-diethoxycyclopent-2-en-1-yl]-2-phenylacetamide
CID 122223622
ethoxycyclooctane
CID 13427982
3,4-diethoxyoxolane
CID 14307969
(1S,2R,4S,5S)-1,2,3,4,5-pentaethoxycyclohexane
CID 118346921
2-ethoxy-2H-oxete
CID 175705413

Frequently Asked Questions

What is the IUPAC name of (1R,4R,6S)-4,6-diethoxybicyclo[3.1.0]hex-2-ene?
The IUPAC name of (1R,4R,6S)-4,6-diethoxybicyclo[3.1.0]hex-2-ene (CID 22298145) is (1R,4R,6S)-4,6-diethoxybicyclo[3.1.0]hex-2-ene.
What is the SMILES notation for (1R,4R,6S)-4,6-diethoxybicyclo[3.1.0]hex-2-ene?
The canonical SMILES for (1R,4R,6S)-4,6-diethoxybicyclo[3.1.0]hex-2-ene is CCO[C@H]1[C@@H]2C=C[C@@H](OCC)[C@@H]21.
What is the InChIKey of (1R,4R,6S)-4,6-diethoxybicyclo[3.1.0]hex-2-ene?
The InChIKey is MHEIYUAZDKFNCB-KYXWUPHJSA-N. The full InChI is InChI=1S/C10H16O2/c1-3-11-8-6-5-7-9(8)10(7)12-4-2/h5-10H,3-4H2,1-2H3/t7-,8-,9-,10+/m1/s1.
What are the key properties of (1R,4R,6S)-4,6-diethoxybicyclo[3.1.0]hex-2-ene?
(1R,4R,6S)-4,6-diethoxybicyclo[3.1.0]hex-2-ene has a molecular weight of 168.24 g/mol, XLogP of 1.61, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4R,6S)-4,6-diethoxybicyclo[3.1.0]hex-2-ene is sourced from PubChem (CID 22298145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).