(2R)-1-[(3R)-6-methyl-3-propan-2-ylcyclohexa-1,5-dien-1-yl]-5-trimethylsilylpent-4-yne-1,2-diol

C18H30O2Si — CID 11472285

IUPAC(2R)-1-[(3R)-6-methyl-3-propan-2-ylcyclohexa-1,5-dien-1-yl]-5-trimethylsilylpent-4-yne-1,2-diol
SMILESCC1=CC[C@H](C(C)C)C=C1C(O)[C@H](O)CC#C[Si](C)(C)C
InChIInChI=1S/C18H30O2Si/c1-13(2)15-10-9-14(3)16(12-15)18(20)17(19)8-7-11-21(4,5)6/h9,12-13,15,17-20H,8,10H2,1-6H3/t15-,17+,18?/m0/s1
InChIKeyKTDRDGHINLWXMM-CTDRKSARSA-N
MW306.52 g/mol
LogP3.53
Rot. Bonds4

About (2R)-1-[(3R)-6-methyl-3-propan-2-ylcyclohexa-1,5-dien-1-yl]-5-trimethylsilylpent-4-yne-1,2-diol

(2R)-1-[(3R)-6-methyl-3-propan-2-ylcyclohexa-1,5-dien-1-yl]-5-trimethylsilylpent-4-yne-1,2-diol (PubChem CID 11472285) has the molecular formula C18H30O2Si and a molecular weight of 306.52 g/mol. Its IUPAC name is (2R)-1-[(3R)-6-methyl-3-propan-2-ylcyclohexa-1,5-dien-1-yl]-5-trimethylsilylpent-4-yne-1,2-diol.

Molecular Properties

Compound Name(2R)-1-[(3R)-6-methyl-3-propan-2-ylcyclohexa-1,5-dien-1-yl]-5-trimethylsilylpent-4-yne-1,2-diol
PubChem CID11472285
Molecular FormulaC18H30O2Si
Molecular Weight306.52 g/mol
Exact Mass306.20
IUPAC Name(2R)-1-[(3R)-6-methyl-3-propan-2-ylcyclohexa-1,5-dien-1-yl]-5-trimethylsilylpent-4-yne-1,2-diol
SMILESCC1=CC[C@H](C(C)C)C=C1C(O)[C@H](O)CC#C[Si](C)(C)C
InChIInChI=1S/C18H30O2Si/c1-13(2)15-10-9-14(3)16(12-15)18(20)17(19)8-7-11-21(4,5)6/h9,12-13,15,17-20H,8,10H2,1-6H3/t15-,17+,18?/m0/s1
InChIKeyKTDRDGHINLWXMM-CTDRKSARSA-N
XLogP3.53
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.52
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1S,2R)-1-[(3R)-6-methyl-3-propan-2-ylcyclohexa-1,5-dien-1-yl]-5-trimethylsilylpent-4-yne-1,2-diol
CID 11077660
2-[(3E,5E)-7-hydroxy-3-methylocta-3,5-dien-1-ynyl]-1,1,3-trimethylsilinan-2-ol
CID 134887457
(2R)-1-[(3S)-6-methyl-3-[(2S)-1-tri(propan-2-yl)silyloxypropan-2-yl]cyclohexa-1,5-dien-1-yl]pent-4-yne-1,2-diol
CID 134942753
(2R)-1-[(3S)-6-methyl-3-[(2S)-1-tri(propan-2-yl)silyloxypropan-2-yl]cyclohexa-1,5-dien-1-yl]-5-trimethylsilylpent-4-yne-1,2-diol
CID 135069827
(1S,2R)-1-[(3S)-6-methyl-3-[(2S)-1-tri(propan-2-yl)silyloxypropan-2-yl]cyclohexa-1,5-dien-1-yl]-5-trimethylsilylpent-4-yne-1,2-diol
CID 11363603
(1R)-2-ethenyl-1-[(1S)-1-hydroxy-3-trimethylsilylprop-2-ynyl]cyclopent-2-en-1-ol
CID 12122261
(1R)-1-[(1S)-1-hydroxy-3-trimethylsilylprop-2-ynyl]-2-[(E)-2-tributylstannylethenyl]cyclopent-2-en-1-ol
CID 12122262
(1R)-2-ethenyl-1-[(1R)-1-hydroxy-3-trimethylsilylprop-2-ynyl]cyclohex-2-en-1-ol
CID 12122267
(1R,2R)-5-trimethylsilyl-1-[(3S)-3-[(2S)-1-tri(propan-2-yl)silyloxypropan-2-yl]cyclohexa-1,5-dien-1-yl]pent-4-yne-1,2-diol
CID 101248714
(1S,2R)-5-trimethylsilyl-1-[(3S)-3-[(2S)-1-tri(propan-2-yl)silyloxypropan-2-yl]cyclohexa-1,5-dien-1-yl]pent-4-yne-1,2-diol
CID 101248715
(2R)-1-[6-methyl-3-[(2S)-1-tri(propan-2-yl)silyloxypropan-2-yl]cyclohexa-1,5-dien-1-yl]-5-trimethylsilylpent-4-yne-1,2-diol
CID 101484613
(1S)-1-[(4aZ,9E)-8,8-dimethyl-6,7,11,12-tetradehydro-3,4-dihydro-2H-benzo[10]annulen-10-yl]-2-[tert-butyl(dimethyl)silyl]oxyethanol
CID 101707024

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(3R)-6-methyl-3-propan-2-ylcyclohexa-1,5-dien-1-yl]-5-trimethylsilylpent-4-yne-1,2-diol?
The IUPAC name of (2R)-1-[(3R)-6-methyl-3-propan-2-ylcyclohexa-1,5-dien-1-yl]-5-trimethylsilylpent-4-yne-1,2-diol (CID 11472285) is (2R)-1-[(3R)-6-methyl-3-propan-2-ylcyclohexa-1,5-dien-1-yl]-5-trimethylsilylpent-4-yne-1,2-diol.
What is the SMILES notation for (2R)-1-[(3R)-6-methyl-3-propan-2-ylcyclohexa-1,5-dien-1-yl]-5-trimethylsilylpent-4-yne-1,2-diol?
The canonical SMILES for (2R)-1-[(3R)-6-methyl-3-propan-2-ylcyclohexa-1,5-dien-1-yl]-5-trimethylsilylpent-4-yne-1,2-diol is CC1=CC[C@H](C(C)C)C=C1C(O)[C@H](O)CC#C[Si](C)(C)C.
What is the InChIKey of (2R)-1-[(3R)-6-methyl-3-propan-2-ylcyclohexa-1,5-dien-1-yl]-5-trimethylsilylpent-4-yne-1,2-diol?
The InChIKey is KTDRDGHINLWXMM-CTDRKSARSA-N. The full InChI is InChI=1S/C18H30O2Si/c1-13(2)15-10-9-14(3)16(12-15)18(20)17(19)8-7-11-21(4,5)6/h9,12-13,15,17-20H,8,10H2,1-6H3/t15-,17+,18?/m0/s1.
What are the key properties of (2R)-1-[(3R)-6-methyl-3-propan-2-ylcyclohexa-1,5-dien-1-yl]-5-trimethylsilylpent-4-yne-1,2-diol?
(2R)-1-[(3R)-6-methyl-3-propan-2-ylcyclohexa-1,5-dien-1-yl]-5-trimethylsilylpent-4-yne-1,2-diol has a molecular weight of 306.52 g/mol, XLogP of 3.53, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(3R)-6-methyl-3-propan-2-ylcyclohexa-1,5-dien-1-yl]-5-trimethylsilylpent-4-yne-1,2-diol is sourced from PubChem (CID 11472285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).