1-chloro-5-methyltricyclo[4.3.1.13,8]undecan-4-ol

C12H19ClO — CID 58192702

IUPAC1-chloro-5-methyltricyclo[4.3.1.13,8]undecan-4-ol
SMILESCC1C2CC3CC(CC(Cl)(C3)C2)C1O
InChIInChI=1S/C12H19ClO/c1-7-9-2-8-3-10(11(7)14)6-12(13,4-8)5-9/h7-11,14H,2-6H2,1H3
InChIKeyXSLFRVDARQBPSG-UHFFFAOYSA-N
MW214.74 g/mol
LogP2.80
Rot. Bonds

About 1-chloro-5-methyltricyclo[4.3.1.13,8]undecan-4-ol

1-chloro-5-methyltricyclo[4.3.1.13,8]undecan-4-ol (PubChem CID 58192702) has the molecular formula C12H19ClO and a molecular weight of 214.74 g/mol. Its IUPAC name is 1-chloro-5-methyltricyclo[4.3.1.13,8]undecan-4-ol.

Molecular Properties

Compound Name1-chloro-5-methyltricyclo[4.3.1.13,8]undecan-4-ol
PubChem CID58192702
Molecular FormulaC12H19ClO
Molecular Weight214.74 g/mol
Exact Mass214.11
IUPAC Name1-chloro-5-methyltricyclo[4.3.1.13,8]undecan-4-ol
SMILESCC1C2CC3CC(CC(Cl)(C3)C2)C1O
InChIInChI=1S/C12H19ClO/c1-7-9-2-8-3-10(11(7)14)6-12(13,4-8)5-9/h7-11,14H,2-6H2,1H3
InChIKeyXSLFRVDARQBPSG-UHFFFAOYSA-N
XLogP2.80
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.74
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-Chlorotricyclo[4.3.1.13,8]undecane-4,5-diol
CID 51030188
1-Propan-2-yltricyclo[4.3.1.13,8]undecan-4-ol
CID 159773400
(1R,8S)-6-chlorotricyclo[4.3.1.13,8]undecan-3-ol
CID 102505702

Frequently Asked Questions

What is the IUPAC name of 1-chloro-5-methyltricyclo[4.3.1.13,8]undecan-4-ol?
The IUPAC name of 1-chloro-5-methyltricyclo[4.3.1.13,8]undecan-4-ol (CID 58192702) is 1-chloro-5-methyltricyclo[4.3.1.13,8]undecan-4-ol.
What is the SMILES notation for 1-chloro-5-methyltricyclo[4.3.1.13,8]undecan-4-ol?
The canonical SMILES for 1-chloro-5-methyltricyclo[4.3.1.13,8]undecan-4-ol is CC1C2CC3CC(CC(Cl)(C3)C2)C1O.
What is the InChIKey of 1-chloro-5-methyltricyclo[4.3.1.13,8]undecan-4-ol?
The InChIKey is XSLFRVDARQBPSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClO/c1-7-9-2-8-3-10(11(7)14)6-12(13,4-8)5-9/h7-11,14H,2-6H2,1H3.
What are the key properties of 1-chloro-5-methyltricyclo[4.3.1.13,8]undecan-4-ol?
1-chloro-5-methyltricyclo[4.3.1.13,8]undecan-4-ol has a molecular weight of 214.74 g/mol, XLogP of 2.80, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-5-methyltricyclo[4.3.1.13,8]undecan-4-ol is sourced from PubChem (CID 58192702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).