1-[hydroxy(oxan-4-yl)methyl]cycloheptan-1-ol

C13H24O3 — CID 103452199

IUPAC1-[hydroxy(oxan-4-yl)methyl]cycloheptan-1-ol
SMILESOC(C1CCOCC1)C1(O)CCCCCC1
InChIInChI=1S/C13H24O3/c14-12(11-5-9-16-10-6-11)13(15)7-3-1-2-4-8-13/h11-12,14-15H,1-10H2
InChIKeyMKDHDKVDTJTRAM-UHFFFAOYSA-N
MW228.33 g/mol
LogP1.86
Rot. Bonds2

About 1-[hydroxy(oxan-4-yl)methyl]cycloheptan-1-ol

1-[hydroxy(oxan-4-yl)methyl]cycloheptan-1-ol (PubChem CID 103452199) has the molecular formula C13H24O3 and a molecular weight of 228.33 g/mol. Its IUPAC name is 1-[hydroxy(oxan-4-yl)methyl]cycloheptan-1-ol.

Molecular Properties

Compound Name1-[hydroxy(oxan-4-yl)methyl]cycloheptan-1-ol
PubChem CID103452199
Molecular FormulaC13H24O3
Molecular Weight228.33 g/mol
Exact Mass228.17
IUPAC Name1-[hydroxy(oxan-4-yl)methyl]cycloheptan-1-ol
SMILESOC(C1CCOCC1)C1(O)CCCCCC1
InChIInChI=1S/C13H24O3/c14-12(11-5-9-16-10-6-11)13(15)7-3-1-2-4-8-13/h11-12,14-15H,1-10H2
InChIKeyMKDHDKVDTJTRAM-UHFFFAOYSA-N
XLogP1.86
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.33
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[cyclohexyl(hydroxy)methyl]cycloheptan-1-ol
CID 103451987
1-[1,9-dioxaspiro[5.5]undecan-4-yl(hydroxy)methyl]cyclohexan-1-ol
CID 103451663
1-[hydroxy(oxan-3-yl)methyl]cyclopentan-1-ol
CID 107136247
1-[(4-ethylcyclohexyl)-hydroxymethyl]cyclopentan-1-ol
CID 103448421
(1-methoxycyclobutyl)-(oxan-4-yl)methanol
CID 116710425
(R)-[4-(aminomethyl)oxan-4-yl]-cyclobutylmethanol
CID 97035401
(2,2-dimethylcyclohexyl)-(oxan-4-yl)methanol
CID 107192269
(2-methylthiolan-2-yl)-(oxan-4-yl)methanol
CID 105097535
(4-methoxyoxan-4-yl)-(oxan-4-yl)methanol
CID 116753889
1-[cyclopentyl(hydroxy)methyl]-4-methylcyclohexan-1-ol
CID 103452562
1-[hydroxy(oxolan-3-yl)methyl]cycloheptane-1-carbonitrile
CID 79136550
1-[hydroxy(oxolan-3-yl)methyl]cyclooctane-1-carbonitrile
CID 80603929

Frequently Asked Questions

What is the IUPAC name of 1-[hydroxy(oxan-4-yl)methyl]cycloheptan-1-ol?
The IUPAC name of 1-[hydroxy(oxan-4-yl)methyl]cycloheptan-1-ol (CID 103452199) is 1-[hydroxy(oxan-4-yl)methyl]cycloheptan-1-ol.
What is the SMILES notation for 1-[hydroxy(oxan-4-yl)methyl]cycloheptan-1-ol?
The canonical SMILES for 1-[hydroxy(oxan-4-yl)methyl]cycloheptan-1-ol is OC(C1CCOCC1)C1(O)CCCCCC1.
What is the InChIKey of 1-[hydroxy(oxan-4-yl)methyl]cycloheptan-1-ol?
The InChIKey is MKDHDKVDTJTRAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O3/c14-12(11-5-9-16-10-6-11)13(15)7-3-1-2-4-8-13/h11-12,14-15H,1-10H2.
What are the key properties of 1-[hydroxy(oxan-4-yl)methyl]cycloheptan-1-ol?
1-[hydroxy(oxan-4-yl)methyl]cycloheptan-1-ol has a molecular weight of 228.33 g/mol, XLogP of 1.86, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[hydroxy(oxan-4-yl)methyl]cycloheptan-1-ol is sourced from PubChem (CID 103452199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).