4-(3-methylbut-2-enoxy)-3,4,5,5,6,6-hexakis(3-methylbut-2-enyl)cyclohex-2-en-1-ol

C41H66O2 — CID 138393254

IUPAC4-(3-methylbut-2-enoxy)-3,4,5,5,6,6-hexakis(3-methylbut-2-enyl)cyclohex-2-en-1-ol
SMILESCC(C)=CCOC1(CC=C(C)C)C(CC=C(C)C)=CC(O)C(CC=C(C)C)(CC=C(C)C)C1(CC=C(C)C)CC=C(C)C
InChIInChI=1S/C41H66O2/c1-30(2)15-16-37-29-38(42)39(23-17-31(3)4,24-18-32(5)6)40(25-19-33(7)8,26-20-34(9)10)41(37,27-21-35(11)12)43-28-22-36(13)14/h15,17-22,29,38,42H,16,23-28H2,1-14H3
InChIKeyAOKKDRJQTYISBC-UHFFFAOYSA-N
MW590.98 g/mol
LogP12.12
Rot. Bonds15

About 4-(3-methylbut-2-enoxy)-3,4,5,5,6,6-hexakis(3-methylbut-2-enyl)cyclohex-2-en-1-ol

4-(3-methylbut-2-enoxy)-3,4,5,5,6,6-hexakis(3-methylbut-2-enyl)cyclohex-2-en-1-ol (PubChem CID 138393254) has the molecular formula C41H66O2 and a molecular weight of 590.98 g/mol. Its IUPAC name is 4-(3-methylbut-2-enoxy)-3,4,5,5,6,6-hexakis(3-methylbut-2-enyl)cyclohex-2-en-1-ol.

Molecular Properties

Compound Name4-(3-methylbut-2-enoxy)-3,4,5,5,6,6-hexakis(3-methylbut-2-enyl)cyclohex-2-en-1-ol
PubChem CID138393254
Molecular FormulaC41H66O2
Molecular Weight590.98 g/mol
Exact Mass590.51
IUPAC Name4-(3-methylbut-2-enoxy)-3,4,5,5,6,6-hexakis(3-methylbut-2-enyl)cyclohex-2-en-1-ol
SMILESCC(C)=CCOC1(CC=C(C)C)C(CC=C(C)C)=CC(O)C(CC=C(C)C)(CC=C(C)C)C1(CC=C(C)C)CC=C(C)C
InChIInChI=1S/C41H66O2/c1-30(2)15-16-37-29-38(42)39(23-17-31(3)4,24-18-32(5)6)40(25-19-33(7)8,26-20-34(9)10)41(37,27-21-35(11)12)43-28-22-36(13)14/h15,17-22,29,38,42H,16,23-28H2,1-14H3
InChIKeyAOKKDRJQTYISBC-UHFFFAOYSA-N
XLogP12.12
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.98
LogP ≤ 512.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(3-methylbut-2-enoxy)-3,4,5,5,6,6-hexakis(3-methylbut-2-enyl)cyclohex-2-en-1-ol with MolForge

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Related Compounds

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Deepoxysalmoxanthin
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2,6,10,10-Tetramethyl-1-oxaspiro[4.5]dec-6-en-8-ol
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CID 57473083
(3aR,9Z,12R)-1-(2-hydroxypropan-2-yl)-3a,10-dimethyl-6-methylidene-2,3,4,5,7,8,11,12-octahydrocyclopenta[11]annulen-12-ol
CID 101602714
8-(Hydroxymethyl)-4,14,15,15-tetramethylbicyclo[9.3.1]pentadeca-1(14),4,8-trien-6-ol
CID 139586212
(1S,4R)-1-[(3S)-3-hydroxybutyl]-2,6,6-trimethylcyclohex-2-ene-1,4-diol
CID 162990853
(1S,4S)-1-[(3R)-3-hydroxybutyl]-2,6,6-trimethylcyclohex-2-ene-1,4-diol
CID 162990854
(1R)-4-[(1E,3E,5E,7E)-8-[(2S,3R)-3-[(1E,3E,5E,7E)-8-[(1R,4S)-4-hydroxy-2,6,6-trimethylcyclohex-2-en-1-yl]-2,6-dimethylocta-1,3,5,7-tetraenyl]oxiran-2-yl]-3,7-dimethylocta-1,3,5,7-tetraenyl]-3,5,5-trimethylcyclohex-3-en-1-ol
CID 163079963

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylbut-2-enoxy)-3,4,5,5,6,6-hexakis(3-methylbut-2-enyl)cyclohex-2-en-1-ol?
The IUPAC name of 4-(3-methylbut-2-enoxy)-3,4,5,5,6,6-hexakis(3-methylbut-2-enyl)cyclohex-2-en-1-ol (CID 138393254) is 4-(3-methylbut-2-enoxy)-3,4,5,5,6,6-hexakis(3-methylbut-2-enyl)cyclohex-2-en-1-ol.
What is the SMILES notation for 4-(3-methylbut-2-enoxy)-3,4,5,5,6,6-hexakis(3-methylbut-2-enyl)cyclohex-2-en-1-ol?
The canonical SMILES for 4-(3-methylbut-2-enoxy)-3,4,5,5,6,6-hexakis(3-methylbut-2-enyl)cyclohex-2-en-1-ol is CC(C)=CCOC1(CC=C(C)C)C(CC=C(C)C)=CC(O)C(CC=C(C)C)(CC=C(C)C)C1(CC=C(C)C)CC=C(C)C.
What is the InChIKey of 4-(3-methylbut-2-enoxy)-3,4,5,5,6,6-hexakis(3-methylbut-2-enyl)cyclohex-2-en-1-ol?
The InChIKey is AOKKDRJQTYISBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H66O2/c1-30(2)15-16-37-29-38(42)39(23-17-31(3)4,24-18-32(5)6)40(25-19-33(7)8,26-20-34(9)10)41(37,27-21-35(11)12)43-28-22-36(13)14/h15,17-22,29,38,42H,16,23-28H2,1-14H3.
What are the key properties of 4-(3-methylbut-2-enoxy)-3,4,5,5,6,6-hexakis(3-methylbut-2-enyl)cyclohex-2-en-1-ol?
4-(3-methylbut-2-enoxy)-3,4,5,5,6,6-hexakis(3-methylbut-2-enyl)cyclohex-2-en-1-ol has a molecular weight of 590.98 g/mol, XLogP of 12.12, 15 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylbut-2-enoxy)-3,4,5,5,6,6-hexakis(3-methylbut-2-enyl)cyclohex-2-en-1-ol is sourced from PubChem (CID 138393254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).