4-methylpentacyclo[7.3.1.14,12.02,7.06,11]tetradecane-1,6-diol

C15H22O2 — CID 21027000

IUPAC4-methylpentacyclo[7.3.1.14,12.02,7.06,11]tetradecane-1,6-diol
SMILESCC12CC3C4CC5CC(C(C1)C3(O)C5)C4(O)C2
InChIInChI=1S/C15H22O2/c1-13-5-11-9-2-8-3-10(15(9,17)7-13)12(6-13)14(11,16)4-8/h8-12,16-17H,2-7H2,1H3
InChIKeyKAVKWXVXHRHUMX-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.94
Rot. Bonds

About 4-methylpentacyclo[7.3.1.14,12.02,7.06,11]tetradecane-1,6-diol

4-methylpentacyclo[7.3.1.14,12.02,7.06,11]tetradecane-1,6-diol (PubChem CID 21027000) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is 4-methylpentacyclo[7.3.1.14,12.02,7.06,11]tetradecane-1,6-diol.

Molecular Properties

Compound Name4-methylpentacyclo[7.3.1.14,12.02,7.06,11]tetradecane-1,6-diol
PubChem CID21027000
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name4-methylpentacyclo[7.3.1.14,12.02,7.06,11]tetradecane-1,6-diol
SMILESCC12CC3C4CC5CC(C(C1)C3(O)C5)C4(O)C2
InChIInChI=1S/C15H22O2/c1-13-5-11-9-2-8-3-10(15(9,17)7-13)12(6-13)14(11,16)4-8/h8-12,16-17H,2-7H2,1H3
InChIKeyKAVKWXVXHRHUMX-UHFFFAOYSA-N
XLogP1.94
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methylpentacyclo[7.3.1.14,12.02,7.06,11]tetradecane-1,6-diol?
The IUPAC name of 4-methylpentacyclo[7.3.1.14,12.02,7.06,11]tetradecane-1,6-diol (CID 21027000) is 4-methylpentacyclo[7.3.1.14,12.02,7.06,11]tetradecane-1,6-diol.
What is the SMILES notation for 4-methylpentacyclo[7.3.1.14,12.02,7.06,11]tetradecane-1,6-diol?
The canonical SMILES for 4-methylpentacyclo[7.3.1.14,12.02,7.06,11]tetradecane-1,6-diol is CC12CC3C4CC5CC(C(C1)C3(O)C5)C4(O)C2.
What is the InChIKey of 4-methylpentacyclo[7.3.1.14,12.02,7.06,11]tetradecane-1,6-diol?
The InChIKey is KAVKWXVXHRHUMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c1-13-5-11-9-2-8-3-10(15(9,17)7-13)12(6-13)14(11,16)4-8/h8-12,16-17H,2-7H2,1H3.
What are the key properties of 4-methylpentacyclo[7.3.1.14,12.02,7.06,11]tetradecane-1,6-diol?
4-methylpentacyclo[7.3.1.14,12.02,7.06,11]tetradecane-1,6-diol has a molecular weight of 234.34 g/mol, XLogP of 1.94, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylpentacyclo[7.3.1.14,12.02,7.06,11]tetradecane-1,6-diol is sourced from PubChem (CID 21027000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).