(3S)-2,2-dimethyl-1-phenylmethoxyhex-5-en-3-ol

C15H22O2 — CID 53362755

IUPAC(3S)-2,2-dimethyl-1-phenylmethoxyhex-5-en-3-ol
SMILESC=CC[C@H](O)C(C)(C)COCc1ccccc1
InChIInChI=1S/C15H22O2/c1-4-8-14(16)15(2,3)12-17-11-13-9-6-5-7-10-13/h4-7,9-10,14,16H,1,8,11-12H2,2-3H3/t14-/m0/s1
InChIKeyLZBYERANWYEUPE-AWEZNQCLSA-N
MW234.34 g/mol
LogP3.17
Rot. Bonds7

About (3S)-2,2-dimethyl-1-phenylmethoxyhex-5-en-3-ol

(3S)-2,2-dimethyl-1-phenylmethoxyhex-5-en-3-ol (PubChem CID 53362755) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is (3S)-2,2-dimethyl-1-phenylmethoxyhex-5-en-3-ol.

Molecular Properties

Compound Name(3S)-2,2-dimethyl-1-phenylmethoxyhex-5-en-3-ol
PubChem CID53362755
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name(3S)-2,2-dimethyl-1-phenylmethoxyhex-5-en-3-ol
SMILESC=CC[C@H](O)C(C)(C)COCc1ccccc1
InChIInChI=1S/C15H22O2/c1-4-8-14(16)15(2,3)12-17-11-13-9-6-5-7-10-13/h4-7,9-10,14,16H,1,8,11-12H2,2-3H3/t14-/m0/s1
InChIKeyLZBYERANWYEUPE-AWEZNQCLSA-N
XLogP3.17
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4R,6R)-5,5-dimethyl-6-phenylmethoxynona-1,8-dien-4-ol
CID 25018953
(4R)-5,5-dimethyl-6-phenylmethoxyhexane-1,2,4-triol
CID 163035504
(2S,3R)-3-fluoro-3-methyl-4-phenylmethoxybutan-2-ol
CID 121002722
(2R,3S)-4-phenylmethoxy-2-prop-2-enylbutane-1,3-diol
CID 13355189
2,2-dimethyl-3-phenylmethoxypropanoic acid
CID 13478288
(1R,3R)-2,2-difluoro-1-(4-fluorophenyl)-1-phenylmethoxyhex-5-en-3-ol
CID 15856347
(2S,3S)-3-hydroxy-2-[(1R)-1-(phenylmethoxymethoxy)ethyl]hex-5-enoic acid
CID 11822508
3-fluoro-3-methyl-1-phenylmethoxybutan-2-ol
CID 14003288
[(2S)-2-fluoropent-4-enoxy]methylbenzene
CID 166140557
3-amino-3-methyl-1-phenylmethoxybutan-2-ol
CID 67509552
benzyl (2R)-2-hydroxypent-4-enoate
CID 11356210
(2S)-2-amino-2-methyl-3-phenylmethoxypropanoic acid
CID 121267296

Frequently Asked Questions

What is the IUPAC name of (3S)-2,2-dimethyl-1-phenylmethoxyhex-5-en-3-ol?
The IUPAC name of (3S)-2,2-dimethyl-1-phenylmethoxyhex-5-en-3-ol (CID 53362755) is (3S)-2,2-dimethyl-1-phenylmethoxyhex-5-en-3-ol.
What is the SMILES notation for (3S)-2,2-dimethyl-1-phenylmethoxyhex-5-en-3-ol?
The canonical SMILES for (3S)-2,2-dimethyl-1-phenylmethoxyhex-5-en-3-ol is C=CC[C@H](O)C(C)(C)COCc1ccccc1.
What is the InChIKey of (3S)-2,2-dimethyl-1-phenylmethoxyhex-5-en-3-ol?
The InChIKey is LZBYERANWYEUPE-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H22O2/c1-4-8-14(16)15(2,3)12-17-11-13-9-6-5-7-10-13/h4-7,9-10,14,16H,1,8,11-12H2,2-3H3/t14-/m0/s1.
What are the key properties of (3S)-2,2-dimethyl-1-phenylmethoxyhex-5-en-3-ol?
(3S)-2,2-dimethyl-1-phenylmethoxyhex-5-en-3-ol has a molecular weight of 234.34 g/mol, XLogP of 3.17, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-2,2-dimethyl-1-phenylmethoxyhex-5-en-3-ol is sourced from PubChem (CID 53362755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).