(Z)-1-(4-tert-butylcyclohexyl)oxy-2-ethyl-2-methylpent-3-en-1-ol

C18H34O2 — CID 71047348

IUPAC(Z)-1-(4-tert-butylcyclohexyl)oxy-2-ethyl-2-methylpent-3-en-1-ol
SMILESC/C=C\C(C)(CC)C(O)OC1CCC(C(C)(C)C)CC1
InChIInChI=1S/C18H34O2/c1-7-13-18(6,8-2)16(19)20-15-11-9-14(10-12-15)17(3,4)5/h7,13-16,19H,8-12H2,1-6H3/b13-7-
InChIKeyPEIDQXITOLMJNL-QPEQYQDCSA-N
MW282.47 g/mol
LogP4.92
Rot. Bonds5

About (Z)-1-(4-tert-butylcyclohexyl)oxy-2-ethyl-2-methylpent-3-en-1-ol

(Z)-1-(4-tert-butylcyclohexyl)oxy-2-ethyl-2-methylpent-3-en-1-ol (PubChem CID 71047348) has the molecular formula C18H34O2 and a molecular weight of 282.47 g/mol. Its IUPAC name is (Z)-1-(4-tert-butylcyclohexyl)oxy-2-ethyl-2-methylpent-3-en-1-ol.

Molecular Properties

Compound Name(Z)-1-(4-tert-butylcyclohexyl)oxy-2-ethyl-2-methylpent-3-en-1-ol
PubChem CID71047348
Molecular FormulaC18H34O2
Molecular Weight282.47 g/mol
Exact Mass282.26
IUPAC Name(Z)-1-(4-tert-butylcyclohexyl)oxy-2-ethyl-2-methylpent-3-en-1-ol
SMILESC/C=C\C(C)(CC)C(O)OC1CCC(C(C)(C)C)CC1
InChIInChI=1S/C18H34O2/c1-7-13-18(6,8-2)16(19)20-15-11-9-14(10-12-15)17(3,4)5/h7,13-16,19H,8-12H2,1-6H3/b13-7-
InChIKeyPEIDQXITOLMJNL-QPEQYQDCSA-N
XLogP4.92
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z,5R)-6-(4-tert-butylcyclohexyl)oxy-5-ethyl-5-methylhept-2-en-4-imine
CID 134513454
(2R,3R)-2,3-bis[(4-tert-butylcyclohexyl)oxy]butanedioic acid
CID 70926789
1-tert-butyl-4-hexan-2-yloxycyclohexane
CID 126552494
1-(4-tert-butylcyclohexyl)oxy-3-(diethylamino)propan-2-ol
CID 2870541
bis(4-tert-butylcyclohexyl) (2R,3R)-2,3-dihydroxybutanedioate
CID 70925701
1-tert-butyl-4-(2-methylbutan-2-yl)cyclohexane
CID 57162506
[2-(4-tert-butylcyclohexyl)-2-hydroxyethyl] formate
CID 101414181
1-(1-iodoethoxy)-4-(2-methylbutan-2-yl)cyclohexane
CID 66790356
ethyl 4-(4-tert-butylcyclohexyl)-4-hydroxybutanoate
CID 104575831
1,3-bis[(4-tert-butylcyclohexyl)oxy]propan-2-one
CID 51351178
4-(4-tert-butylcyclohexyl)oxycyclohexan-1-ol
CID 102283442
1-(4-tert-butylcyclohexyl)heptan-1-ol
CID 65400919

Frequently Asked Questions

What is the IUPAC name of (Z)-1-(4-tert-butylcyclohexyl)oxy-2-ethyl-2-methylpent-3-en-1-ol?
The IUPAC name of (Z)-1-(4-tert-butylcyclohexyl)oxy-2-ethyl-2-methylpent-3-en-1-ol (CID 71047348) is (Z)-1-(4-tert-butylcyclohexyl)oxy-2-ethyl-2-methylpent-3-en-1-ol.
What is the SMILES notation for (Z)-1-(4-tert-butylcyclohexyl)oxy-2-ethyl-2-methylpent-3-en-1-ol?
The canonical SMILES for (Z)-1-(4-tert-butylcyclohexyl)oxy-2-ethyl-2-methylpent-3-en-1-ol is C/C=C\C(C)(CC)C(O)OC1CCC(C(C)(C)C)CC1.
What is the InChIKey of (Z)-1-(4-tert-butylcyclohexyl)oxy-2-ethyl-2-methylpent-3-en-1-ol?
The InChIKey is PEIDQXITOLMJNL-QPEQYQDCSA-N. The full InChI is InChI=1S/C18H34O2/c1-7-13-18(6,8-2)16(19)20-15-11-9-14(10-12-15)17(3,4)5/h7,13-16,19H,8-12H2,1-6H3/b13-7-.
What are the key properties of (Z)-1-(4-tert-butylcyclohexyl)oxy-2-ethyl-2-methylpent-3-en-1-ol?
(Z)-1-(4-tert-butylcyclohexyl)oxy-2-ethyl-2-methylpent-3-en-1-ol has a molecular weight of 282.47 g/mol, XLogP of 4.92, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(4-tert-butylcyclohexyl)oxy-2-ethyl-2-methylpent-3-en-1-ol is sourced from PubChem (CID 71047348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).