CID 66813620

C13H21O2Si — CID 66813620

IUPAC—
SMILESC[Si](C)OC(c1cccc(O)c1)C(C)(C)C
InChIInChI=1S/C13H21O2Si/c1-13(2,3)12(15-16(4)5)10-7-6-8-11(14)9-10/h6-9,12,14H,1-5H3
InChIKeyPZVAHHOAOXINGV-UHFFFAOYSA-N
MW237.40 g/mol
LogP3.75
Rot. Bonds3

About CID 66813620

CID 66813620 (PubChem CID 66813620) has the molecular formula C13H21O2Si and a molecular weight of 237.40 g/mol.

Molecular Properties

Compound NameCID 66813620
PubChem CID66813620
Molecular FormulaC13H21O2Si
Molecular Weight237.40 g/mol
Exact Mass237.13
IUPAC Name—
SMILESC[Si](C)OC(c1cccc(O)c1)C(C)(C)C
InChIInChI=1S/C13H21O2Si/c1-13(2,3)12(15-16(4)5)10-7-6-8-11(14)9-10/h6-9,12,14H,1-5H3
InChIKeyPZVAHHOAOXINGV-UHFFFAOYSA-N
XLogP3.75
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.40
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[(1R)-1-amino-2,2-dimethylpropyl]phenol;hydrochloride
CID 171245723
3-[1-[1-(3-hydroxyphenyl)-2,2-dimethylpropyl]sulfanyl-2,2-dimethylpropyl]phenol
CID 141194592
CID 66813969
CID 66813969
3-[1-(2,3,3-trimethylbutylamino)ethyl]phenol
CID 83141752
3-[1-(hydroxyamino)ethyl]phenol
CID 82684421
2-[1-(3-hydroxyphenyl)-2,2-dimethylpropyl]propanedinitrile
CID 10680869
methyl 2-[1-(3-hydroxyphenyl)ethylamino]-2-methylpropanoate
CID 43726102
tert-butyl N-[(1R)-1-(3-hydroxyphenyl)ethyl]carbamate
CID 56955758
CID 87883645
CID 87883645
3-[(1S)-2-amino-1-hydroxypropyl]phenol
CID 70582339
3-[(2S)-2-amino-1-hydroxypropyl]phenol
CID 102328188
(2R)-2-amino-N-[1-(3-hydroxyphenyl)ethyl]-3,3-dimethylbutanamide
CID 113353325

Frequently Asked Questions

What is the IUPAC name of CID 66813620?
The IUPAC name of CID 66813620 (CID 66813620) is not available.
What is the SMILES notation for CID 66813620?
The canonical SMILES for CID 66813620 is C[Si](C)OC(c1cccc(O)c1)C(C)(C)C.
What is the InChIKey of CID 66813620?
The InChIKey is PZVAHHOAOXINGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21O2Si/c1-13(2,3)12(15-16(4)5)10-7-6-8-11(14)9-10/h6-9,12,14H,1-5H3.
What are the key properties of CID 66813620?
CID 66813620 has a molecular weight of 237.40 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 66813620 is sourced from PubChem (CID 66813620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).