(3S,4R)-3-methoxy-4-propan-2-ylcyclohexene

C10H18O — CID 134897656

IUPAC(3S,4R)-3-methoxy-4-propan-2-ylcyclohexene
SMILESCO[C@H]1C=CCC[C@@H]1C(C)C
InChIInChI=1S/C10H18O/c1-8(2)9-6-4-5-7-10(9)11-3/h5,7-10H,4,6H2,1-3H3/t9-,10+/m1/s1
InChIKeyTWJOOFXETAVSOI-ZJUUUORDSA-N
MW154.25 g/mol
LogP2.62
Rot. Bonds2

About (3S,4R)-3-methoxy-4-propan-2-ylcyclohexene

(3S,4R)-3-methoxy-4-propan-2-ylcyclohexene (PubChem CID 134897656) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is (3S,4R)-3-methoxy-4-propan-2-ylcyclohexene.

Molecular Properties

Compound Name(3S,4R)-3-methoxy-4-propan-2-ylcyclohexene
PubChem CID134897656
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name(3S,4R)-3-methoxy-4-propan-2-ylcyclohexene
SMILESCO[C@H]1C=CCC[C@@H]1C(C)C
InChIInChI=1S/C10H18O/c1-8(2)9-6-4-5-7-10(9)11-3/h5,7-10H,4,6H2,1-3H3/t9-,10+/m1/s1
InChIKeyTWJOOFXETAVSOI-ZJUUUORDSA-N
XLogP2.62
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1S,2R)-2-methoxycyclohex-3-ene-1-carboxylic acid
CID 45084870
(3S,4S)-4-methyl-3-propan-2-ylcyclohexene
CID 54375477
1-(2-methoxycyclohex-3-en-1-yl)propan-1-one
CID 76582081
carbon monoxide;[methoxy-[(1R,2S)-2-methoxycyclohex-3-en-1-yl]methylidene]chromium
CID 134980625
cis-(1S,2S)-1-methyl-2-propan-2-ylcyclopentane
CID 59954464
cis-(1R,2R)-1-methoxy-2-propan-2-ylcyclopentane
CID 137449477
1-hydroxy-1-(2-methylcyclohex-3-en-1-yl)propan-2-one
CID 130026689
(1S,4S,4aS,8aS)-1-methyl-4-propan-2-yl-3,4,4a,7,8,8a-hexahydro-2H-naphthalen-1-ol
CID 163034278
2-methoxy-6-propan-2-ylcyclohexan-1-ol
CID 140573404
(1R)-1-methyl-2-propan-2-ylcyclobutane
CID 158704963
3-(dimethoxymethyl)cyclopentene
CID 12723451
1-propan-2-yl-1,2,3,5,6,8a-hexahydronaphthalene
CID 101316646

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3-methoxy-4-propan-2-ylcyclohexene?
The IUPAC name of (3S,4R)-3-methoxy-4-propan-2-ylcyclohexene (CID 134897656) is (3S,4R)-3-methoxy-4-propan-2-ylcyclohexene.
What is the SMILES notation for (3S,4R)-3-methoxy-4-propan-2-ylcyclohexene?
The canonical SMILES for (3S,4R)-3-methoxy-4-propan-2-ylcyclohexene is CO[C@H]1C=CCC[C@@H]1C(C)C.
What is the InChIKey of (3S,4R)-3-methoxy-4-propan-2-ylcyclohexene?
The InChIKey is TWJOOFXETAVSOI-ZJUUUORDSA-N. The full InChI is InChI=1S/C10H18O/c1-8(2)9-6-4-5-7-10(9)11-3/h5,7-10H,4,6H2,1-3H3/t9-,10+/m1/s1.
What are the key properties of (3S,4R)-3-methoxy-4-propan-2-ylcyclohexene?
(3S,4R)-3-methoxy-4-propan-2-ylcyclohexene has a molecular weight of 154.25 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3-methoxy-4-propan-2-ylcyclohexene is sourced from PubChem (CID 134897656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).