[10-(hydroxymethyl)-2-heptacyclo[6.4.0.02,4.03,7.05,12.06,10.09,11]dodecanyl]methanol

C14H16O2 — CID 100946575

IUPAC[10-(hydroxymethyl)-2-heptacyclo[6.4.0.02,4.03,7.05,12.06,10.09,11]dodecanyl]methanol
SMILESOCC12C3C4C5C6C(C3C3C4C63CO)C1C52
InChIInChI=1S/C14H16O2/c15-1-13-7-3-5-8-6(10(13)9(5)13)4(7)12-11(3)14(8,12)2-16/h3-12,15-16H,1-2H2
InChIKeyLDLRYOAWEOROSO-UHFFFAOYSA-N
MW216.28 g/mol
LogP0.20
Rot. Bonds2

About [10-(hydroxymethyl)-2-heptacyclo[6.4.0.02,4.03,7.05,12.06,10.09,11]dodecanyl]methanol

[10-(hydroxymethyl)-2-heptacyclo[6.4.0.02,4.03,7.05,12.06,10.09,11]dodecanyl]methanol (PubChem CID 100946575) has the molecular formula C14H16O2 and a molecular weight of 216.28 g/mol. Its IUPAC name is [10-(hydroxymethyl)-2-heptacyclo[6.4.0.02,4.03,7.05,12.06,10.09,11]dodecanyl]methanol.

Molecular Properties

Compound Name[10-(hydroxymethyl)-2-heptacyclo[6.4.0.02,4.03,7.05,12.06,10.09,11]dodecanyl]methanol
PubChem CID100946575
Molecular FormulaC14H16O2
Molecular Weight216.28 g/mol
Exact Mass216.12
IUPAC Name[10-(hydroxymethyl)-2-heptacyclo[6.4.0.02,4.03,7.05,12.06,10.09,11]dodecanyl]methanol
SMILESOCC12C3C4C5C6C(C3C3C4C63CO)C1C52
InChIInChI=1S/C14H16O2/c15-1-13-7-3-5-8-6(10(13)9(5)13)4(7)12-11(3)14(8,12)2-16/h3-12,15-16H,1-2H2
InChIKeyLDLRYOAWEOROSO-UHFFFAOYSA-N
XLogP0.20
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [10-(hydroxymethyl)-2-heptacyclo[6.4.0.02,4.03,7.05,12.06,10.09,11]dodecanyl]methanol with MolForge

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Related Compounds

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(1R,2S,3S,4R)-1,4-bis(hydroxymethyl)cyclopentane-1,2,3,4-tetrol
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Frequently Asked Questions

What is the IUPAC name of [10-(hydroxymethyl)-2-heptacyclo[6.4.0.02,4.03,7.05,12.06,10.09,11]dodecanyl]methanol?
The IUPAC name of [10-(hydroxymethyl)-2-heptacyclo[6.4.0.02,4.03,7.05,12.06,10.09,11]dodecanyl]methanol (CID 100946575) is [10-(hydroxymethyl)-2-heptacyclo[6.4.0.02,4.03,7.05,12.06,10.09,11]dodecanyl]methanol.
What is the SMILES notation for [10-(hydroxymethyl)-2-heptacyclo[6.4.0.02,4.03,7.05,12.06,10.09,11]dodecanyl]methanol?
The canonical SMILES for [10-(hydroxymethyl)-2-heptacyclo[6.4.0.02,4.03,7.05,12.06,10.09,11]dodecanyl]methanol is OCC12C3C4C5C6C(C3C3C4C63CO)C1C52.
What is the InChIKey of [10-(hydroxymethyl)-2-heptacyclo[6.4.0.02,4.03,7.05,12.06,10.09,11]dodecanyl]methanol?
The InChIKey is LDLRYOAWEOROSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O2/c15-1-13-7-3-5-8-6(10(13)9(5)13)4(7)12-11(3)14(8,12)2-16/h3-12,15-16H,1-2H2.
What are the key properties of [10-(hydroxymethyl)-2-heptacyclo[6.4.0.02,4.03,7.05,12.06,10.09,11]dodecanyl]methanol?
[10-(hydroxymethyl)-2-heptacyclo[6.4.0.02,4.03,7.05,12.06,10.09,11]dodecanyl]methanol has a molecular weight of 216.28 g/mol, XLogP of 0.20, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [10-(hydroxymethyl)-2-heptacyclo[6.4.0.02,4.03,7.05,12.06,10.09,11]dodecanyl]methanol is sourced from PubChem (CID 100946575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).