[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] [tert-butyl(methyl)phosphanyl]formate

C16H31O2P — CID 134985043

IUPAC[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] [tert-butyl(methyl)phosphanyl]formate
SMILESCC(C)[C@H]1CC[C@H](C)C[C@@H]1OC(=O)P(C)C(C)(C)C
InChIInChI=1S/C16H31O2P/c1-11(2)13-9-8-12(3)10-14(13)18-15(17)19(7)16(4,5)6/h11-14H,8-10H2,1-7H3/t12-,13+,14-,19?/m0/s1
InChIKeyJUWNREHCQZEZGW-IAYSQTMDSA-N
MW286.40 g/mol
LogP5.49
Rot. Bonds3

About [(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] [tert-butyl(methyl)phosphanyl]formate

[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] [tert-butyl(methyl)phosphanyl]formate (PubChem CID 134985043) has the molecular formula C16H31O2P and a molecular weight of 286.40 g/mol. Its IUPAC name is [(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] [tert-butyl(methyl)phosphanyl]formate.

Molecular Properties

Compound Name[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] [tert-butyl(methyl)phosphanyl]formate
PubChem CID134985043
Molecular FormulaC16H31O2P
Molecular Weight286.40 g/mol
Exact Mass286.21
IUPAC Name[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] [tert-butyl(methyl)phosphanyl]formate
SMILESCC(C)[C@H]1CC[C@H](C)C[C@@H]1OC(=O)P(C)C(C)(C)C
InChIInChI=1S/C16H31O2P/c1-11(2)13-9-8-12(3)10-14(13)18-15(17)19(7)16(4,5)6/h11-14H,8-10H2,1-7H3/t12-,13+,14-,19?/m0/s1
InChIKeyJUWNREHCQZEZGW-IAYSQTMDSA-N
XLogP5.49
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.40
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2,2-dimethylpropanoate
CID 12738090
[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl] carbonochloridate
CID 13308514
(5-methyl-2-propan-2-ylcyclohexyl) 2-methyl-2-(methylamino)propanoate
CID 62822105
[(1R,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-bromo-2-methylpropanoate
CID 172643840
bis[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2R,3R)-2,3-bis(tert-butylamino)butanedioate
CID 101239741
[(1S,5S)-5-methyl-2-propan-2-ylcyclohexyl] 2-methylpropanoate
CID 90138995
methane;(5-methyl-2-propan-2-ylcyclohexyl) acetate
CID 157342153
bis[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-methylpropanedioate
CID 101364051
[(2S)-5-methyl-2-propan-2-ylcyclohexyl] 2-methylpropanoate
CID 90138993
cis-2-O-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl] 1-O-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (1R,2S)-cyclopropane-1,2-dicarboxylate
CID 129460596
ethane-1,2-diol;[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] hydrogen carbonate
CID 174452355
[(1S,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl] 2,2,2-trifluoroacetate
CID 26791163

Frequently Asked Questions

What is the IUPAC name of [(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] [tert-butyl(methyl)phosphanyl]formate?
The IUPAC name of [(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] [tert-butyl(methyl)phosphanyl]formate (CID 134985043) is [(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] [tert-butyl(methyl)phosphanyl]formate.
What is the SMILES notation for [(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] [tert-butyl(methyl)phosphanyl]formate?
The canonical SMILES for [(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] [tert-butyl(methyl)phosphanyl]formate is CC(C)[C@H]1CC[C@H](C)C[C@@H]1OC(=O)P(C)C(C)(C)C.
What is the InChIKey of [(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] [tert-butyl(methyl)phosphanyl]formate?
The InChIKey is JUWNREHCQZEZGW-IAYSQTMDSA-N. The full InChI is InChI=1S/C16H31O2P/c1-11(2)13-9-8-12(3)10-14(13)18-15(17)19(7)16(4,5)6/h11-14H,8-10H2,1-7H3/t12-,13+,14-,19?/m0/s1.
What are the key properties of [(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] [tert-butyl(methyl)phosphanyl]formate?
[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] [tert-butyl(methyl)phosphanyl]formate has a molecular weight of 286.40 g/mol, XLogP of 5.49, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] [tert-butyl(methyl)phosphanyl]formate is sourced from PubChem (CID 134985043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).