(1S,3S,4R)-4-ethenyl-2,2-dimethyl-3-phenylmethoxycyclobutan-1-ol

C15H20O2 — CID 102188862

IUPAC(1S,3S,4R)-4-ethenyl-2,2-dimethyl-3-phenylmethoxycyclobutan-1-ol
SMILESC=C[C@@H]1[C@H](O)C(C)(C)[C@H]1OCc1ccccc1
InChIInChI=1S/C15H20O2/c1-4-12-13(16)15(2,3)14(12)17-10-11-8-6-5-7-9-11/h4-9,12-14,16H,1,10H2,2-3H3/t12-,13+,14+/m1/s1
InChIKeyGSIACOSMBKWMMB-RDBSUJKOSA-N
MW232.32 g/mol
LogP2.77
Rot. Bonds4

About (1S,3S,4R)-4-ethenyl-2,2-dimethyl-3-phenylmethoxycyclobutan-1-ol

(1S,3S,4R)-4-ethenyl-2,2-dimethyl-3-phenylmethoxycyclobutan-1-ol (PubChem CID 102188862) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is (1S,3S,4R)-4-ethenyl-2,2-dimethyl-3-phenylmethoxycyclobutan-1-ol.

Molecular Properties

Compound Name(1S,3S,4R)-4-ethenyl-2,2-dimethyl-3-phenylmethoxycyclobutan-1-ol
PubChem CID102188862
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name(1S,3S,4R)-4-ethenyl-2,2-dimethyl-3-phenylmethoxycyclobutan-1-ol
SMILESC=C[C@@H]1[C@H](O)C(C)(C)[C@H]1OCc1ccccc1
InChIInChI=1S/C15H20O2/c1-4-12-13(16)15(2,3)14(12)17-10-11-8-6-5-7-9-11/h4-9,12-14,16H,1,10H2,2-3H3/t12-,13+,14+/m1/s1
InChIKeyGSIACOSMBKWMMB-RDBSUJKOSA-N
XLogP2.77
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 52.77
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

[(1S,3S,4S)-4-ethenyl-2,2-dimethyl-3-phenylmethoxycyclobutyl] prop-2-enoate
CID 23584522
(4S,5R)-5-ethenyl-2-methoxy-3,3-dimethyl-4-phenylmethoxyoxolane
CID 102188861
(1S,2R,3R,4S,5S,6S)-4,5-bis(phenylmethoxy)-3,6-bis(prop-2-enoxy)cyclohexane-1,2-diol
CID 7099090
(1R,2R,3S,4R,5R,6R)-3,4-bis(phenylmethoxy)-2,5,6-tris(prop-2-enoxy)cyclohexan-1-ol
CID 27531776
(1R,2S,3S,4R,5R,6S)-3,4,5-tris(phenylmethoxy)-6-prop-2-enoxycyclohexane-1,2-diol
CID 11755326
(2R,3R,5R,6S)-1-methyl-2,3,4,5,6-pentakis(phenylmethoxy)cyclohexan-1-ol
CID 102432631
(4S,5R)-3,3-dimethyl-5-phenylmethoxy-1-prop-2-enylpiperidin-4-ol
CID 11558157
cis-benzyl (1R,3R)-3-ethenyl-2,2-dimethylcyclopropane-1-carboxylate
CID 78324671
(1R,2S,4S)-2,4-dimethyl-3,5,6-tris(phenylmethoxy)cyclohexan-1-ol
CID 118000060
(3S)-4-phenylmethoxy-2-prop-2-enyl-5-[[(4S)-2,2,4-trimethyl-1,3-dioxolan-4-yl]methyl]oxolan-3-ol
CID 146409174
(3R,4R,5R,6S)-6-ethenyl-3,4,5-tris(phenylmethoxy)oxan-2-ol
CID 100977031
(1,2-dimethyl-3-phenylmethoxycyclopropyl)oxymethylbenzene
CID 90999367

Frequently Asked Questions

What is the IUPAC name of (1S,3S,4R)-4-ethenyl-2,2-dimethyl-3-phenylmethoxycyclobutan-1-ol?
The IUPAC name of (1S,3S,4R)-4-ethenyl-2,2-dimethyl-3-phenylmethoxycyclobutan-1-ol (CID 102188862) is (1S,3S,4R)-4-ethenyl-2,2-dimethyl-3-phenylmethoxycyclobutan-1-ol.
What is the SMILES notation for (1S,3S,4R)-4-ethenyl-2,2-dimethyl-3-phenylmethoxycyclobutan-1-ol?
The canonical SMILES for (1S,3S,4R)-4-ethenyl-2,2-dimethyl-3-phenylmethoxycyclobutan-1-ol is C=C[C@@H]1[C@H](O)C(C)(C)[C@H]1OCc1ccccc1.
What is the InChIKey of (1S,3S,4R)-4-ethenyl-2,2-dimethyl-3-phenylmethoxycyclobutan-1-ol?
The InChIKey is GSIACOSMBKWMMB-RDBSUJKOSA-N. The full InChI is InChI=1S/C15H20O2/c1-4-12-13(16)15(2,3)14(12)17-10-11-8-6-5-7-9-11/h4-9,12-14,16H,1,10H2,2-3H3/t12-,13+,14+/m1/s1.
What are the key properties of (1S,3S,4R)-4-ethenyl-2,2-dimethyl-3-phenylmethoxycyclobutan-1-ol?
(1S,3S,4R)-4-ethenyl-2,2-dimethyl-3-phenylmethoxycyclobutan-1-ol has a molecular weight of 232.32 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3S,4R)-4-ethenyl-2,2-dimethyl-3-phenylmethoxycyclobutan-1-ol is sourced from PubChem (CID 102188862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).