[1-[[[1-(hydroxymethyl)cyclopropyl]methylperoxy-methylphosphoryl]peroxymethyl]cyclopropyl]methanol

C11H21O7P — CID 87585280

IUPAC[1-[[[1-(hydroxymethyl)cyclopropyl]methylperoxy-methylphosphoryl]peroxymethyl]cyclopropyl]methanol
SMILESCP(=O)(OOCC1(CO)CC1)OOCC1(CO)CC1
InChIInChI=1S/C11H21O7P/c1-19(14,17-15-8-10(6-12)2-3-10)18-16-9-11(7-13)4-5-11/h12-13H,2-9H2,1H3
InChIKeyMQSBHSHUCCFCSR-UHFFFAOYSA-N
MW296.26 g/mol
LogP1.25
Rot. Bonds10

About [1-[[[1-(hydroxymethyl)cyclopropyl]methylperoxy-methylphosphoryl]peroxymethyl]cyclopropyl]methanol

[1-[[[1-(hydroxymethyl)cyclopropyl]methylperoxy-methylphosphoryl]peroxymethyl]cyclopropyl]methanol (PubChem CID 87585280) has the molecular formula C11H21O7P and a molecular weight of 296.26 g/mol. Its IUPAC name is [1-[[[1-(hydroxymethyl)cyclopropyl]methylperoxy-methylphosphoryl]peroxymethyl]cyclopropyl]methanol.

Molecular Properties

Compound Name[1-[[[1-(hydroxymethyl)cyclopropyl]methylperoxy-methylphosphoryl]peroxymethyl]cyclopropyl]methanol
PubChem CID87585280
Molecular FormulaC11H21O7P
Molecular Weight296.26 g/mol
Exact Mass296.10
IUPAC Name[1-[[[1-(hydroxymethyl)cyclopropyl]methylperoxy-methylphosphoryl]peroxymethyl]cyclopropyl]methanol
SMILESCP(=O)(OOCC1(CO)CC1)OOCC1(CO)CC1
InChIInChI=1S/C11H21O7P/c1-19(14,17-15-8-10(6-12)2-3-10)18-16-9-11(7-13)4-5-11/h12-13H,2-9H2,1H3
InChIKeyMQSBHSHUCCFCSR-UHFFFAOYSA-N
XLogP1.25
TPSA94.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.26
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

[1-(trideuteriomethoxymethyl)cyclopropyl]methanol
CID 171784533
tris(cyclododecane);[1-(hydroxymethyl)cyclododecyl]methyl 2-methylprop-2-enoate
CID 70385774
[1-(hydroxymethyl)cyclohexyl]methyl 2-ethylbutanoate
CID 151792785
[1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]methanol
CID 59000904
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-methoxypropanamide
CID 80708553
[1-(hydroxymethyl)cyclobutyl]methyl 2,2-difluoropropanoate
CID 59602505
[1-[1-(hydroxymethyl)cyclononyl]cyclononyl]methanol;bis(2-methylprop-2-enoic acid)
CID 158295547
methyl [1-(hydroxymethyl)cyclopropyl]methanesulfonate
CID 175006983
[1-[1-(hydroxymethyl)cycloundecyl]cycloundecyl]methanol
CID 22328250
(1-propylcyclopropyl)methanol
CID 66026334
[4-(methoxymethyl)piperidin-4-yl]methanol;hydrochloride
CID 126569824
7,7-bis(hydroxymethyl)-2-azaspiro[3.5]nonane-1,3-dione
CID 176808924

Frequently Asked Questions

What is the IUPAC name of [1-[[[1-(hydroxymethyl)cyclopropyl]methylperoxy-methylphosphoryl]peroxymethyl]cyclopropyl]methanol?
The IUPAC name of [1-[[[1-(hydroxymethyl)cyclopropyl]methylperoxy-methylphosphoryl]peroxymethyl]cyclopropyl]methanol (CID 87585280) is [1-[[[1-(hydroxymethyl)cyclopropyl]methylperoxy-methylphosphoryl]peroxymethyl]cyclopropyl]methanol.
What is the SMILES notation for [1-[[[1-(hydroxymethyl)cyclopropyl]methylperoxy-methylphosphoryl]peroxymethyl]cyclopropyl]methanol?
The canonical SMILES for [1-[[[1-(hydroxymethyl)cyclopropyl]methylperoxy-methylphosphoryl]peroxymethyl]cyclopropyl]methanol is CP(=O)(OOCC1(CO)CC1)OOCC1(CO)CC1.
What is the InChIKey of [1-[[[1-(hydroxymethyl)cyclopropyl]methylperoxy-methylphosphoryl]peroxymethyl]cyclopropyl]methanol?
The InChIKey is MQSBHSHUCCFCSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21O7P/c1-19(14,17-15-8-10(6-12)2-3-10)18-16-9-11(7-13)4-5-11/h12-13H,2-9H2,1H3.
What are the key properties of [1-[[[1-(hydroxymethyl)cyclopropyl]methylperoxy-methylphosphoryl]peroxymethyl]cyclopropyl]methanol?
[1-[[[1-(hydroxymethyl)cyclopropyl]methylperoxy-methylphosphoryl]peroxymethyl]cyclopropyl]methanol has a molecular weight of 296.26 g/mol, XLogP of 1.25, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[[1-(hydroxymethyl)cyclopropyl]methylperoxy-methylphosphoryl]peroxymethyl]cyclopropyl]methanol is sourced from PubChem (CID 87585280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).