1-[tert-butyl(dimethyl)silyl]-4-(2,2-dimethyl-6-methylidenecyclohexyl)butan-1-ol

C19H38OSi — CID 554440

IUPAC1-[tert-butyl(dimethyl)silyl]-4-(2,2-dimethyl-6-methylidenecyclohexyl)butan-1-ol
SMILESC=C1CCCC(C)(C)C1CCCC(O)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H38OSi/c1-15-11-10-14-19(5,6)16(15)12-9-13-17(20)21(7,8)18(2,3)4/h16-17,20H,1,9-14H2,2-8H3
InChIKeyVZXHGNGRAILUIF-UHFFFAOYSA-N
MW310.60 g/mol
LogP5.95
Rot. Bonds5

About 1-[tert-butyl(dimethyl)silyl]-4-(2,2-dimethyl-6-methylidenecyclohexyl)butan-1-ol

1-[tert-butyl(dimethyl)silyl]-4-(2,2-dimethyl-6-methylidenecyclohexyl)butan-1-ol (PubChem CID 554440) has the molecular formula C19H38OSi and a molecular weight of 310.60 g/mol. Its IUPAC name is 1-[tert-butyl(dimethyl)silyl]-4-(2,2-dimethyl-6-methylidenecyclohexyl)butan-1-ol.

Molecular Properties

Compound Name1-[tert-butyl(dimethyl)silyl]-4-(2,2-dimethyl-6-methylidenecyclohexyl)butan-1-ol
PubChem CID554440
Molecular FormulaC19H38OSi
Molecular Weight310.60 g/mol
Exact Mass310.27
IUPAC Name1-[tert-butyl(dimethyl)silyl]-4-(2,2-dimethyl-6-methylidenecyclohexyl)butan-1-ol
SMILESC=C1CCCC(C)(C)C1CCCC(O)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H38OSi/c1-15-11-10-14-19(5,6)16(15)12-9-13-17(20)21(7,8)18(2,3)4/h16-17,20H,1,9-14H2,2-8H3
InChIKeyVZXHGNGRAILUIF-UHFFFAOYSA-N
XLogP5.95
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.60
LogP ≤ 55.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-(2,2-Dimethyl-6-methylenecyclohexyl)-ethanol
CID 10374825
Cyclohexanepropanol, 2,2-dimethyl-6-methylene-
CID 549684
2-[(1R)-2,2-dimethyl-6-methylidenecyclohexyl]ethanol
CID 10997441
2-[(1S)-2,2-dimethyl-6-methylidenecyclohexyl]ethanol
CID 12308790
Buzhysxwcxkzpr-cabcvrresa-
CID 14563305
6-[Tert-butyl(dimethyl)silyl]oxy-1-(2,2-dimethyl-6-methylidenecyclohexyl)-3-methylhex-4-yn-3-ol
CID 10546759
Tert-butyl-[2-(2,2-dimethyl-6-methylidenecyclohexyl)ethoxy]-dimethylsilane
CID 14563308
[(1R,2R,4S)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methylidene-2-bicyclo[2.2.2]octanyl]methanol
CID 25053671
[(1R,2R,4S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methylidene-1-bicyclo[2.2.2]octanyl]methanol
CID 25053672
[1-[[Tert-butyl(dimethyl)silyl]oxymethyl]-5-methylidene-2-bicyclo[2.2.2]octanyl]methanol
CID 74421798
2-((1R,2R,3R)-2-((tert-butyldimethylsilyloxy)methyl)-2,3-dimethyl-6-(propan-2-ylidene)cyclohexyl)ethanol
CID 102518990
3-[(1S,4S)-4-tert-butyl-6-trimethylsilylcyclohex-2-en-1-yl]propan-1-ol
CID 134980037

Frequently Asked Questions

What is the IUPAC name of 1-[tert-butyl(dimethyl)silyl]-4-(2,2-dimethyl-6-methylidenecyclohexyl)butan-1-ol?
The IUPAC name of 1-[tert-butyl(dimethyl)silyl]-4-(2,2-dimethyl-6-methylidenecyclohexyl)butan-1-ol (CID 554440) is 1-[tert-butyl(dimethyl)silyl]-4-(2,2-dimethyl-6-methylidenecyclohexyl)butan-1-ol.
What is the SMILES notation for 1-[tert-butyl(dimethyl)silyl]-4-(2,2-dimethyl-6-methylidenecyclohexyl)butan-1-ol?
The canonical SMILES for 1-[tert-butyl(dimethyl)silyl]-4-(2,2-dimethyl-6-methylidenecyclohexyl)butan-1-ol is C=C1CCCC(C)(C)C1CCCC(O)[Si](C)(C)C(C)(C)C.
What is the InChIKey of 1-[tert-butyl(dimethyl)silyl]-4-(2,2-dimethyl-6-methylidenecyclohexyl)butan-1-ol?
The InChIKey is VZXHGNGRAILUIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38OSi/c1-15-11-10-14-19(5,6)16(15)12-9-13-17(20)21(7,8)18(2,3)4/h16-17,20H,1,9-14H2,2-8H3.
What are the key properties of 1-[tert-butyl(dimethyl)silyl]-4-(2,2-dimethyl-6-methylidenecyclohexyl)butan-1-ol?
1-[tert-butyl(dimethyl)silyl]-4-(2,2-dimethyl-6-methylidenecyclohexyl)butan-1-ol has a molecular weight of 310.60 g/mol, XLogP of 5.95, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[tert-butyl(dimethyl)silyl]-4-(2,2-dimethyl-6-methylidenecyclohexyl)butan-1-ol is sourced from PubChem (CID 554440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).