(2R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[(4R)-4-methylcyclohexen-1-yl]but-3-en-2-ol

C18H34O2Si — CID 10380719

IUPAC(2R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[(4R)-4-methylcyclohexen-1-yl]but-3-en-2-ol
SMILESC=C(CO[Si](C)(C)C(C)(C)C)[C@H](O)CC1=CC[C@H](C)CC1
InChIInChI=1S/C18H34O2Si/c1-14-8-10-16(11-9-14)12-17(19)15(2)13-20-21(6,7)18(3,4)5/h10,14,17,19H,2,8-9,11-13H2,1,3-7H3/t14-,17+/m0/s1
InChIKeyFEHYXQPWYYCBDJ-WMLDXEAASA-N
MW310.55 g/mol
LogP5.06
Rot. Bonds6

About (2R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[(4R)-4-methylcyclohexen-1-yl]but-3-en-2-ol

(2R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[(4R)-4-methylcyclohexen-1-yl]but-3-en-2-ol (PubChem CID 10380719) has the molecular formula C18H34O2Si and a molecular weight of 310.55 g/mol. Its IUPAC name is (2R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[(4R)-4-methylcyclohexen-1-yl]but-3-en-2-ol.

Molecular Properties

Compound Name(2R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[(4R)-4-methylcyclohexen-1-yl]but-3-en-2-ol
PubChem CID10380719
Molecular FormulaC18H34O2Si
Molecular Weight310.55 g/mol
Exact Mass310.23
IUPAC Name(2R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[(4R)-4-methylcyclohexen-1-yl]but-3-en-2-ol
SMILESC=C(CO[Si](C)(C)C(C)(C)C)[C@H](O)CC1=CC[C@H](C)CC1
InChIInChI=1S/C18H34O2Si/c1-14-8-10-16(11-9-14)12-17(19)15(2)13-20-21(6,7)18(3,4)5/h10,14,17,19H,2,8-9,11-13H2,1,3-7H3/t14-,17+/m0/s1
InChIKeyFEHYXQPWYYCBDJ-WMLDXEAASA-N
XLogP5.06
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.55
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[(4R)-4-methylcyclohexen-1-yl]but-3-en-2-ol with MolForge

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Launch Full Analysis

Related Compounds

(2E,6E,11S,12R)-3,7,11,15-tetramethylhexadeca-2,6,14-triene-1,12-diol
CID 16681369
(E,7R,11S,12R,14S)-3,7,11,15-tetramethylhexadec-2-ene-1,12,14-triol
CID 163071072
(E,7R,11S,12S,14R)-3,7,11,15-tetramethylhexadec-2-ene-1,12,14-triol
CID 163071073
2-[(2R,3S,6S)-6-[(E,2R)-2-[tert-butyl(dimethyl)silyl]oxy-6-methylhept-3-enyl]-3-methyloxan-2-yl]ethanol
CID 11292059
(1S,2R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3-propan-2-ylcyclohept-3-ene-1,2-diol
CID 12034957
3,4-dimethyl-1-[(1R,2R)-2-prop-1-en-2-yl-2-triethylsilyloxycyclohexyl]pent-3-en-2-ol
CID 11122130
(1S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,6-dimethyl-5-pent-4-ynylcyclohex-3-en-1-ol
CID 11163507
(1S,2R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-3-propan-2-ylcyclohept-3-ene-1,2-diol
CID 11301047
(5S,6S,7E,9E)-5,7,9-trimethyl-6-triethylsilyloxyundeca-7,9-dien-4-ol
CID 11416545
(1E,3S,4S,7Z)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-cyclohexyl-4-methyldeca-1,7-dien-3-ol
CID 14447627
(E,2R,5R,6S)-7-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethylhept-3-ene-1,5-diol
CID 14525995
3-[(1E,3E,5Z,7E)-9-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethylnona-1,3,5,7-tetraenyl]-2,4,4-trimethylcyclohex-2-en-1-ol
CID 15489656

Frequently Asked Questions

What is the IUPAC name of (2R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[(4R)-4-methylcyclohexen-1-yl]but-3-en-2-ol?
The IUPAC name of (2R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[(4R)-4-methylcyclohexen-1-yl]but-3-en-2-ol (CID 10380719) is (2R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[(4R)-4-methylcyclohexen-1-yl]but-3-en-2-ol.
What is the SMILES notation for (2R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[(4R)-4-methylcyclohexen-1-yl]but-3-en-2-ol?
The canonical SMILES for (2R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[(4R)-4-methylcyclohexen-1-yl]but-3-en-2-ol is C=C(CO[Si](C)(C)C(C)(C)C)[C@H](O)CC1=CC[C@H](C)CC1.
What is the InChIKey of (2R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[(4R)-4-methylcyclohexen-1-yl]but-3-en-2-ol?
The InChIKey is FEHYXQPWYYCBDJ-WMLDXEAASA-N. The full InChI is InChI=1S/C18H34O2Si/c1-14-8-10-16(11-9-14)12-17(19)15(2)13-20-21(6,7)18(3,4)5/h10,14,17,19H,2,8-9,11-13H2,1,3-7H3/t14-,17+/m0/s1.
What are the key properties of (2R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[(4R)-4-methylcyclohexen-1-yl]but-3-en-2-ol?
(2R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[(4R)-4-methylcyclohexen-1-yl]but-3-en-2-ol has a molecular weight of 310.55 g/mol, XLogP of 5.06, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[(4R)-4-methylcyclohexen-1-yl]but-3-en-2-ol is sourced from PubChem (CID 10380719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).