(3S)-1-ethenyl-3-(methoxymethoxy)cyclohexene

C10H16O2 — CID 100956681

IUPAC(3S)-1-ethenyl-3-(methoxymethoxy)cyclohexene
SMILESC=CC1=C[C@@H](OCOC)CCC1
InChIInChI=1S/C10H16O2/c1-3-9-5-4-6-10(7-9)12-8-11-2/h3,7,10H,1,4-6,8H2,2H3/t10-/m0/s1
InChIKeyIIRPKTJRXDHZFZ-JTQLQIEISA-N
MW168.24 g/mol
LogP2.27
Rot. Bonds4

About (3S)-1-ethenyl-3-(methoxymethoxy)cyclohexene

(3S)-1-ethenyl-3-(methoxymethoxy)cyclohexene (PubChem CID 100956681) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is (3S)-1-ethenyl-3-(methoxymethoxy)cyclohexene.

Molecular Properties

Compound Name(3S)-1-ethenyl-3-(methoxymethoxy)cyclohexene
PubChem CID100956681
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name(3S)-1-ethenyl-3-(methoxymethoxy)cyclohexene
SMILESC=CC1=C[C@@H](OCOC)CCC1
InChIInChI=1S/C10H16O2/c1-3-9-5-4-6-10(7-9)12-8-11-2/h3,7,10H,1,4-6,8H2,2H3/t10-/m0/s1
InChIKeyIIRPKTJRXDHZFZ-JTQLQIEISA-N
XLogP2.27
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 ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4-O-[(1R)-3-ethenylcyclohex-2-en-1-yl] 1-O-ethyl (Z)-but-2-enedioate
CID 101345586
(3S)-1-ethenyl-3-prop-2-ynoxycyclopentene
CID 125475114
1-ethenyl-5-(methoxymethoxy)cyclohexene
CID 101021221
3-ethenylcyclohex-2-en-1-ol
CID 10866328
(6R)-1-ethenyl-6-(methoxymethoxy)cyclohexene
CID 100956688
(5R,6S)-1-ethenyl-6-(methoxymethoxy)-5-methylcyclohexene
CID 125476026
(4E)-6-methoxy-3-(methoxymethoxy)cyclooct-4-en-1-ol
CID 166982109
(3R,4aS,5S)-5-(methoxymethoxy)-3-methyl-4a-prop-2-enyl-3,4,5,6,7,8-hexahydronaphthalen-2-one
CID 10038451
[(1R)-3-[(E)-2-methoxyethenyl]cyclohex-2-en-1-yl] acetate
CID 101022571
(3aR,5E,8S,9E,12aR)-8-(methoxymethoxy)-6,10-dimethyl-1,2,3,3a,4,7,8,11,12,12a-decahydrocyclopenta[11]annulene
CID 102001195
(9Z)-8-(methoxymethoxy)-2-methylcyclotetradec-9-en-3-yn-1-one
CID 134888142
trans-(2S,3R)-3-(methoxymethoxy)-2-(2-oxopropyl)-2-prop-2-enylcyclohexan-1-one
CID 53341825

Frequently Asked Questions

What is the IUPAC name of (3S)-1-ethenyl-3-(methoxymethoxy)cyclohexene?
The IUPAC name of (3S)-1-ethenyl-3-(methoxymethoxy)cyclohexene (CID 100956681) is (3S)-1-ethenyl-3-(methoxymethoxy)cyclohexene.
What is the SMILES notation for (3S)-1-ethenyl-3-(methoxymethoxy)cyclohexene?
The canonical SMILES for (3S)-1-ethenyl-3-(methoxymethoxy)cyclohexene is C=CC1=C[C@@H](OCOC)CCC1.
What is the InChIKey of (3S)-1-ethenyl-3-(methoxymethoxy)cyclohexene?
The InChIKey is IIRPKTJRXDHZFZ-JTQLQIEISA-N. The full InChI is InChI=1S/C10H16O2/c1-3-9-5-4-6-10(7-9)12-8-11-2/h3,7,10H,1,4-6,8H2,2H3/t10-/m0/s1.
What are the key properties of (3S)-1-ethenyl-3-(methoxymethoxy)cyclohexene?
(3S)-1-ethenyl-3-(methoxymethoxy)cyclohexene has a molecular weight of 168.24 g/mol, XLogP of 2.27, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-ethenyl-3-(methoxymethoxy)cyclohexene is sourced from PubChem (CID 100956681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).