2-[(2Z,5R)-5-cyclohexyl-5-methylhepta-2,6-dien-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C20H35BO2 — CID 146168145

IUPAC2-[(2Z,5R)-5-cyclohexyl-5-methylhepta-2,6-dien-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESC=C[C@@](C)(C/C=C(\C)B1OC(C)(C)C(C)(C)O1)C1CCCCC1
InChIInChI=1S/C20H35BO2/c1-8-20(7,17-12-10-9-11-13-17)15-14-16(2)21-22-18(3,4)19(5,6)23-21/h8,14,17H,1,9-13,15H2,2-7H3/b16-14+/t20-/m0/s1
InChIKeyISJUMQYTMQGRQL-VISDOYDDSA-N
MW318.31 g/mol
LogP5.73
Rot. Bonds5

About 2-[(2Z,5R)-5-cyclohexyl-5-methylhepta-2,6-dien-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-[(2Z,5R)-5-cyclohexyl-5-methylhepta-2,6-dien-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 146168145) has the molecular formula C20H35BO2 and a molecular weight of 318.31 g/mol. Its IUPAC name is 2-[(2Z,5R)-5-cyclohexyl-5-methylhepta-2,6-dien-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-[(2Z,5R)-5-cyclohexyl-5-methylhepta-2,6-dien-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID146168145
Molecular FormulaC20H35BO2
Molecular Weight318.31 g/mol
Exact Mass318.27
IUPAC Name2-[(2Z,5R)-5-cyclohexyl-5-methylhepta-2,6-dien-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESC=C[C@@](C)(C/C=C(\C)B1OC(C)(C)C(C)(C)O1)C1CCCCC1
InChIInChI=1S/C20H35BO2/c1-8-20(7,17-12-10-9-11-13-17)15-14-16(2)21-22-18(3,4)19(5,6)23-21/h8,14,17H,1,9-13,15H2,2-7H3/b16-14+/t20-/m0/s1
InChIKeyISJUMQYTMQGRQL-VISDOYDDSA-N
XLogP5.73
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.31
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(4-tert-Butylcyclohex-1-en-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 15486605
2-[(Z)-1-cyclohexylprop-1-en-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 87418507
2-[(E)-3-cyclohexylprop-2-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 102346248
2-[(Z)-3-cyclohexylprop-2-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 102493049
2-[(E)-3-cyclohexylbut-2-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 102523471
2-[(E)-2-cyclohexylbut-2-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 102523473
2-((1s,3s)-1-Cyclohexyl-3-vinylcyclobutyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 134821151
2-((1s,3s)-3-(Cyclohex-1-en-1-yl)-1-cyclohexylcyclobutyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 134821180
2-[(Z,1R)-1-cyclohexyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-2-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 135000382
2-[(Z)-1-cyclohexylbut-1-en-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 135053484
2-[(E)-1-cyclohexylbut-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 135086327
2-[(1R,6E)-1-cyclohexyl-6-ethylidenecyclohexa-2,4-dien-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 138968672

Frequently Asked Questions

What is the IUPAC name of 2-[(2Z,5R)-5-cyclohexyl-5-methylhepta-2,6-dien-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-[(2Z,5R)-5-cyclohexyl-5-methylhepta-2,6-dien-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 146168145) is 2-[(2Z,5R)-5-cyclohexyl-5-methylhepta-2,6-dien-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-[(2Z,5R)-5-cyclohexyl-5-methylhepta-2,6-dien-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-[(2Z,5R)-5-cyclohexyl-5-methylhepta-2,6-dien-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is C=C[C@@](C)(C/C=C(\C)B1OC(C)(C)C(C)(C)O1)C1CCCCC1.
What is the InChIKey of 2-[(2Z,5R)-5-cyclohexyl-5-methylhepta-2,6-dien-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is ISJUMQYTMQGRQL-VISDOYDDSA-N. The full InChI is InChI=1S/C20H35BO2/c1-8-20(7,17-12-10-9-11-13-17)15-14-16(2)21-22-18(3,4)19(5,6)23-21/h8,14,17H,1,9-13,15H2,2-7H3/b16-14+/t20-/m0/s1.
What are the key properties of 2-[(2Z,5R)-5-cyclohexyl-5-methylhepta-2,6-dien-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-[(2Z,5R)-5-cyclohexyl-5-methylhepta-2,6-dien-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 318.31 g/mol, XLogP of 5.73, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2Z,5R)-5-cyclohexyl-5-methylhepta-2,6-dien-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 146168145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).