(4S)-4-(3-hydroxyprop-1-ynyl)tricyclo[4.3.1.03,8]decan-4-ol

C13H18O2 — CID 135037655

IUPAC(4S)-4-(3-hydroxyprop-1-ynyl)tricyclo[4.3.1.03,8]decan-4-ol
SMILESOCC#C[C@]1(O)CC2CC3CC(C2)C1C3
InChIInChI=1S/C13H18O2/c14-3-1-2-13(15)8-10-4-9-5-11(6-10)12(13)7-9/h9-12,14-15H,3-8H2/t9?,10?,11?,12?,13-/m0/s1
InChIKeyKOGSBZZNWDXKMZ-XHFUNPKLSA-N
MW206.28 g/mol
LogP1.17
Rot. Bonds

About (4S)-4-(3-hydroxyprop-1-ynyl)tricyclo[4.3.1.03,8]decan-4-ol

(4S)-4-(3-hydroxyprop-1-ynyl)tricyclo[4.3.1.03,8]decan-4-ol (PubChem CID 135037655) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is (4S)-4-(3-hydroxyprop-1-ynyl)tricyclo[4.3.1.03,8]decan-4-ol.

Molecular Properties

Compound Name(4S)-4-(3-hydroxyprop-1-ynyl)tricyclo[4.3.1.03,8]decan-4-ol
PubChem CID135037655
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name(4S)-4-(3-hydroxyprop-1-ynyl)tricyclo[4.3.1.03,8]decan-4-ol
SMILESOCC#C[C@]1(O)CC2CC3CC(C2)C1C3
InChIInChI=1S/C13H18O2/c14-3-1-2-13(15)8-10-4-9-5-11(6-10)12(13)7-9/h9-12,14-15H,3-8H2/t9?,10?,11?,12?,13-/m0/s1
InChIKeyKOGSBZZNWDXKMZ-XHFUNPKLSA-N
XLogP1.17
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-(3-hydroxyprop-1-ynyl)tricyclo[4.3.1.03,8]decan-4-ol?
The IUPAC name of (4S)-4-(3-hydroxyprop-1-ynyl)tricyclo[4.3.1.03,8]decan-4-ol (CID 135037655) is (4S)-4-(3-hydroxyprop-1-ynyl)tricyclo[4.3.1.03,8]decan-4-ol.
What is the SMILES notation for (4S)-4-(3-hydroxyprop-1-ynyl)tricyclo[4.3.1.03,8]decan-4-ol?
The canonical SMILES for (4S)-4-(3-hydroxyprop-1-ynyl)tricyclo[4.3.1.03,8]decan-4-ol is OCC#C[C@]1(O)CC2CC3CC(C2)C1C3.
What is the InChIKey of (4S)-4-(3-hydroxyprop-1-ynyl)tricyclo[4.3.1.03,8]decan-4-ol?
The InChIKey is KOGSBZZNWDXKMZ-XHFUNPKLSA-N. The full InChI is InChI=1S/C13H18O2/c14-3-1-2-13(15)8-10-4-9-5-11(6-10)12(13)7-9/h9-12,14-15H,3-8H2/t9?,10?,11?,12?,13-/m0/s1.
What are the key properties of (4S)-4-(3-hydroxyprop-1-ynyl)tricyclo[4.3.1.03,8]decan-4-ol?
(4S)-4-(3-hydroxyprop-1-ynyl)tricyclo[4.3.1.03,8]decan-4-ol has a molecular weight of 206.28 g/mol, XLogP of 1.17, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(3-hydroxyprop-1-ynyl)tricyclo[4.3.1.03,8]decan-4-ol is sourced from PubChem (CID 135037655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).