(E,1R)-3-cyclohexyl-1-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]but-2-en-1-ol

C20H36O — CID 101356330

IUPAC(E,1R)-3-cyclohexyl-1-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]but-2-en-1-ol
SMILESC/C(=C\[C@H](O)[C@@H]1C[C@H](C)CC[C@H]1C(C)C)C1CCCCC1
InChIInChI=1S/C20H36O/c1-14(2)18-11-10-15(3)12-19(18)20(21)13-16(4)17-8-6-5-7-9-17/h13-15,17-21H,5-12H2,1-4H3/b16-13+/t15-,18+,19-,20+/m1/s1
InChIKeyFIZMSNVJIAEKQU-JHMZYHNHSA-N
MW292.51 g/mol
LogP5.58
Rot. Bonds4

About (E,1R)-3-cyclohexyl-1-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]but-2-en-1-ol

(E,1R)-3-cyclohexyl-1-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]but-2-en-1-ol (PubChem CID 101356330) has the molecular formula C20H36O and a molecular weight of 292.51 g/mol. Its IUPAC name is (E,1R)-3-cyclohexyl-1-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]but-2-en-1-ol.

Molecular Properties

Compound Name(E,1R)-3-cyclohexyl-1-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]but-2-en-1-ol
PubChem CID101356330
Molecular FormulaC20H36O
Molecular Weight292.51 g/mol
Exact Mass292.28
IUPAC Name(E,1R)-3-cyclohexyl-1-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]but-2-en-1-ol
SMILESC/C(=C\[C@H](O)[C@@H]1C[C@H](C)CC[C@H]1C(C)C)C1CCCCC1
InChIInChI=1S/C20H36O/c1-14(2)18-11-10-15(3)12-19(18)20(21)13-16(4)17-8-6-5-7-9-17/h13-15,17-21H,5-12H2,1-4H3/b16-13+/t15-,18+,19-,20+/m1/s1
InChIKeyFIZMSNVJIAEKQU-JHMZYHNHSA-N
XLogP5.58
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.51
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (E,1R)-3-cyclohexyl-1-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]but-2-en-1-ol with MolForge

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Related Compounds

(E,1S)-3-methyl-1-(5-methyl-2-propan-2-ylcyclohexyl)but-2-ene-1,4-diol
CID 101174952
(2S)-4-methyl-1,2-di(propan-2-yl)cyclohexane
CID 169042978
(E,1R)-3-methyl-1-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]-4-phenylbut-2-en-1-ol
CID 101052478
(E,1R)-1-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]hex-2-en-1-ol
CID 15984657
[cyclopropyl-(5-methyl-2-propan-2-ylcyclohexyl)methyl]cycloheptane
CID 173286902
(Z,1S)-1-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-3-phenylbut-2-ene-1,4-diol
CID 101356340
1-(5-methyl-2-propan-2-ylcyclohexyl)ethane-1,2-diol
CID 67111388
(E,1S)-1-(5-methyl-2-propan-2-ylcyclohexyl)-3-phenylprop-2-en-1-ol
CID 101174954
hypochlorous acid;5-methyl-2-propan-2-ylcyclohexan-1-ol
CID 174568794
CID 66630118
CID 66630118
ethane;(5-methyl-2-propan-2-ylcyclohexyl) cyclohexanecarboxylate;(5-methyl-2-propan-2-ylcyclohexyl) 3-methylbut-2-enoate
CID 142294861
(1S,2S,4R)-4-methyl-2-propan-2-ylcyclohexan-1-ol
CID 15605903

Frequently Asked Questions

What is the IUPAC name of (E,1R)-3-cyclohexyl-1-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]but-2-en-1-ol?
The IUPAC name of (E,1R)-3-cyclohexyl-1-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]but-2-en-1-ol (CID 101356330) is (E,1R)-3-cyclohexyl-1-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]but-2-en-1-ol.
What is the SMILES notation for (E,1R)-3-cyclohexyl-1-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]but-2-en-1-ol?
The canonical SMILES for (E,1R)-3-cyclohexyl-1-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]but-2-en-1-ol is C/C(=C\[C@H](O)[C@@H]1C[C@H](C)CC[C@H]1C(C)C)C1CCCCC1.
What is the InChIKey of (E,1R)-3-cyclohexyl-1-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]but-2-en-1-ol?
The InChIKey is FIZMSNVJIAEKQU-JHMZYHNHSA-N. The full InChI is InChI=1S/C20H36O/c1-14(2)18-11-10-15(3)12-19(18)20(21)13-16(4)17-8-6-5-7-9-17/h13-15,17-21H,5-12H2,1-4H3/b16-13+/t15-,18+,19-,20+/m1/s1.
What are the key properties of (E,1R)-3-cyclohexyl-1-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]but-2-en-1-ol?
(E,1R)-3-cyclohexyl-1-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]but-2-en-1-ol has a molecular weight of 292.51 g/mol, XLogP of 5.58, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E,1R)-3-cyclohexyl-1-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]but-2-en-1-ol is sourced from PubChem (CID 101356330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).