3-(3,3-dimethylpent-1-en-2-yloxy)adamantan-1-ol

C17H28O2 — CID 58264934

IUPAC3-(3,3-dimethylpent-1-en-2-yloxy)adamantan-1-ol
SMILESC=C(OC12CC3CC(CC(O)(C3)C1)C2)C(C)(C)CC
InChIInChI=1S/C17H28O2/c1-5-15(3,4)12(2)19-17-9-13-6-14(10-17)8-16(18,7-13)11-17/h13-14,18H,2,5-11H2,1,3-4H3
InChIKeyRZQQOUWQJXHBCG-UHFFFAOYSA-N
MW264.41 g/mol
LogP4.04
Rot. Bonds4

About 3-(3,3-dimethylpent-1-en-2-yloxy)adamantan-1-ol

3-(3,3-dimethylpent-1-en-2-yloxy)adamantan-1-ol (PubChem CID 58264934) has the molecular formula C17H28O2 and a molecular weight of 264.41 g/mol. Its IUPAC name is 3-(3,3-dimethylpent-1-en-2-yloxy)adamantan-1-ol.

Molecular Properties

Compound Name3-(3,3-dimethylpent-1-en-2-yloxy)adamantan-1-ol
PubChem CID58264934
Molecular FormulaC17H28O2
Molecular Weight264.41 g/mol
Exact Mass264.21
IUPAC Name3-(3,3-dimethylpent-1-en-2-yloxy)adamantan-1-ol
SMILESC=C(OC12CC3CC(CC(O)(C3)C1)C2)C(C)(C)CC
InChIInChI=1S/C17H28O2/c1-5-15(3,4)12(2)19-17-9-13-6-14(10-17)8-16(18,7-13)11-17/h13-14,18H,2,5-11H2,1,3-4H3
InChIKeyRZQQOUWQJXHBCG-UHFFFAOYSA-N
XLogP4.04
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(3,3-dimethylpent-1-en-2-yloxy)adamantan-1-ol?
The IUPAC name of 3-(3,3-dimethylpent-1-en-2-yloxy)adamantan-1-ol (CID 58264934) is 3-(3,3-dimethylpent-1-en-2-yloxy)adamantan-1-ol.
What is the SMILES notation for 3-(3,3-dimethylpent-1-en-2-yloxy)adamantan-1-ol?
The canonical SMILES for 3-(3,3-dimethylpent-1-en-2-yloxy)adamantan-1-ol is C=C(OC12CC3CC(CC(O)(C3)C1)C2)C(C)(C)CC.
What is the InChIKey of 3-(3,3-dimethylpent-1-en-2-yloxy)adamantan-1-ol?
The InChIKey is RZQQOUWQJXHBCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O2/c1-5-15(3,4)12(2)19-17-9-13-6-14(10-17)8-16(18,7-13)11-17/h13-14,18H,2,5-11H2,1,3-4H3.
What are the key properties of 3-(3,3-dimethylpent-1-en-2-yloxy)adamantan-1-ol?
3-(3,3-dimethylpent-1-en-2-yloxy)adamantan-1-ol has a molecular weight of 264.41 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-dimethylpent-1-en-2-yloxy)adamantan-1-ol is sourced from PubChem (CID 58264934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).