1-propan-2-yltricyclo[4.3.1.13,8]undecan-4-ol

C14H24O — CID 159773400

IUPAC1-propan-2-yltricyclo[4.3.1.13,8]undecan-4-ol
SMILESCC(C)C12CC3CC(CC(C1)C(O)C3)C2
InChIInChI=1S/C14H24O/c1-9(2)14-6-10-3-11(7-14)5-13(15)12(4-10)8-14/h9-13,15H,3-8H2,1-2H3
InChIKeyNGKKFYGVZCRJDS-UHFFFAOYSA-N
MW208.34 g/mol
LogP3.22
Rot. Bonds1

About 1-propan-2-yltricyclo[4.3.1.13,8]undecan-4-ol

1-propan-2-yltricyclo[4.3.1.13,8]undecan-4-ol (PubChem CID 159773400) has the molecular formula C14H24O and a molecular weight of 208.34 g/mol. Its IUPAC name is 1-propan-2-yltricyclo[4.3.1.13,8]undecan-4-ol.

Molecular Properties

Compound Name1-propan-2-yltricyclo[4.3.1.13,8]undecan-4-ol
PubChem CID159773400
Molecular FormulaC14H24O
Molecular Weight208.34 g/mol
Exact Mass208.18
IUPAC Name1-propan-2-yltricyclo[4.3.1.13,8]undecan-4-ol
SMILESCC(C)C12CC3CC(CC(C1)C(O)C3)C2
InChIInChI=1S/C14H24O/c1-9(2)14-6-10-3-11(7-14)5-13(15)12(4-10)8-14/h9-13,15H,3-8H2,1-2H3
InChIKeyNGKKFYGVZCRJDS-UHFFFAOYSA-N
XLogP3.22
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.34
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yltricyclo[4.3.1.13,8]undecan-4-ol?
The IUPAC name of 1-propan-2-yltricyclo[4.3.1.13,8]undecan-4-ol (CID 159773400) is 1-propan-2-yltricyclo[4.3.1.13,8]undecan-4-ol.
What is the SMILES notation for 1-propan-2-yltricyclo[4.3.1.13,8]undecan-4-ol?
The canonical SMILES for 1-propan-2-yltricyclo[4.3.1.13,8]undecan-4-ol is CC(C)C12CC3CC(CC(C1)C(O)C3)C2.
What is the InChIKey of 1-propan-2-yltricyclo[4.3.1.13,8]undecan-4-ol?
The InChIKey is NGKKFYGVZCRJDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O/c1-9(2)14-6-10-3-11(7-14)5-13(15)12(4-10)8-14/h9-13,15H,3-8H2,1-2H3.
What are the key properties of 1-propan-2-yltricyclo[4.3.1.13,8]undecan-4-ol?
1-propan-2-yltricyclo[4.3.1.13,8]undecan-4-ol has a molecular weight of 208.34 g/mol, XLogP of 3.22, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yltricyclo[4.3.1.13,8]undecan-4-ol is sourced from PubChem (CID 159773400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).