cis-(1R,3S)-4-methylidene-3-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]cyclohexan-1-ol

C15H24O2 — CID 71519647

IUPACcis-(1R,3S)-4-methylidene-3-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]cyclohexan-1-ol
SMILESC=C1CC[C@@H](O)C[C@@H]1[C@@]1(C)O[C@@H]1CC=C(C)C
InChIInChI=1S/C15H24O2/c1-10(2)5-8-14-15(4,17-14)13-9-12(16)7-6-11(13)3/h5,12-14,16H,3,6-9H2,1-2,4H3/t12-,13+,14-,15-/m1/s1
InChIKeyNKCBUMYAPXFQEQ-LXTVHRRPSA-N
MW236.35 g/mol
LogP3.22
Rot. Bonds3

About cis-(1R,3S)-4-methylidene-3-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]cyclohexan-1-ol

cis-(1R,3S)-4-methylidene-3-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]cyclohexan-1-ol (PubChem CID 71519647) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is cis-(1R,3S)-4-methylidene-3-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]cyclohexan-1-ol.

Molecular Properties

Compound Namecis-(1R,3S)-4-methylidene-3-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]cyclohexan-1-ol
PubChem CID71519647
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Namecis-(1R,3S)-4-methylidene-3-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]cyclohexan-1-ol
SMILESC=C1CC[C@@H](O)C[C@@H]1[C@@]1(C)O[C@@H]1CC=C(C)C
InChIInChI=1S/C15H24O2/c1-10(2)5-8-14-15(4,17-14)13-9-12(16)7-6-11(13)3/h5,12-14,16H,3,6-9H2,1-2,4H3/t12-,13+,14-,15-/m1/s1
InChIKeyNKCBUMYAPXFQEQ-LXTVHRRPSA-N
XLogP3.22
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-4-methylidene-3-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]cyclohexan-1-ol?
The IUPAC name of cis-(1R,3S)-4-methylidene-3-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]cyclohexan-1-ol (CID 71519647) is cis-(1R,3S)-4-methylidene-3-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]cyclohexan-1-ol.
What is the SMILES notation for cis-(1R,3S)-4-methylidene-3-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]cyclohexan-1-ol?
The canonical SMILES for cis-(1R,3S)-4-methylidene-3-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]cyclohexan-1-ol is C=C1CC[C@@H](O)C[C@@H]1[C@@]1(C)O[C@@H]1CC=C(C)C.
What is the InChIKey of cis-(1R,3S)-4-methylidene-3-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]cyclohexan-1-ol?
The InChIKey is NKCBUMYAPXFQEQ-LXTVHRRPSA-N. The full InChI is InChI=1S/C15H24O2/c1-10(2)5-8-14-15(4,17-14)13-9-12(16)7-6-11(13)3/h5,12-14,16H,3,6-9H2,1-2,4H3/t12-,13+,14-,15-/m1/s1.
What are the key properties of cis-(1R,3S)-4-methylidene-3-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]cyclohexan-1-ol?
cis-(1R,3S)-4-methylidene-3-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]cyclohexan-1-ol has a molecular weight of 236.35 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-4-methylidene-3-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]cyclohexan-1-ol is sourced from PubChem (CID 71519647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).