(3-propan-2-yloxy-2,3,4,5,6,6a-hexahydro-1H-pentalen-3a-yl)methanol

C12H22O2 — CID 171769908

IUPAC(3-propan-2-yloxy-2,3,4,5,6,6a-hexahydro-1H-pentalen-3a-yl)methanol
SMILESCC(C)OC1CCC2CCCC21CO
InChIInChI=1S/C12H22O2/c1-9(2)14-11-6-5-10-4-3-7-12(10,11)8-13/h9-11,13H,3-8H2,1-2H3
InChIKeyDLVGVJJZMPFIEJ-UHFFFAOYSA-N
MW198.31 g/mol
LogP2.35
Rot. Bonds3

About (3-propan-2-yloxy-2,3,4,5,6,6a-hexahydro-1H-pentalen-3a-yl)methanol

(3-propan-2-yloxy-2,3,4,5,6,6a-hexahydro-1H-pentalen-3a-yl)methanol (PubChem CID 171769908) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is (3-propan-2-yloxy-2,3,4,5,6,6a-hexahydro-1H-pentalen-3a-yl)methanol.

Molecular Properties

Compound Name(3-propan-2-yloxy-2,3,4,5,6,6a-hexahydro-1H-pentalen-3a-yl)methanol
PubChem CID171769908
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name(3-propan-2-yloxy-2,3,4,5,6,6a-hexahydro-1H-pentalen-3a-yl)methanol
SMILESCC(C)OC1CCC2CCCC21CO
InChIInChI=1S/C12H22O2/c1-9(2)14-11-6-5-10-4-3-7-12(10,11)8-13/h9-11,13H,3-8H2,1-2H3
InChIKeyDLVGVJJZMPFIEJ-UHFFFAOYSA-N
XLogP2.35
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (3-propan-2-yloxy-2,3,4,5,6,6a-hexahydro-1H-pentalen-3a-yl)methanol?
The IUPAC name of (3-propan-2-yloxy-2,3,4,5,6,6a-hexahydro-1H-pentalen-3a-yl)methanol (CID 171769908) is (3-propan-2-yloxy-2,3,4,5,6,6a-hexahydro-1H-pentalen-3a-yl)methanol.
What is the SMILES notation for (3-propan-2-yloxy-2,3,4,5,6,6a-hexahydro-1H-pentalen-3a-yl)methanol?
The canonical SMILES for (3-propan-2-yloxy-2,3,4,5,6,6a-hexahydro-1H-pentalen-3a-yl)methanol is CC(C)OC1CCC2CCCC21CO.
What is the InChIKey of (3-propan-2-yloxy-2,3,4,5,6,6a-hexahydro-1H-pentalen-3a-yl)methanol?
The InChIKey is DLVGVJJZMPFIEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2/c1-9(2)14-11-6-5-10-4-3-7-12(10,11)8-13/h9-11,13H,3-8H2,1-2H3.
What are the key properties of (3-propan-2-yloxy-2,3,4,5,6,6a-hexahydro-1H-pentalen-3a-yl)methanol?
(3-propan-2-yloxy-2,3,4,5,6,6a-hexahydro-1H-pentalen-3a-yl)methanol has a molecular weight of 198.31 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-propan-2-yloxy-2,3,4,5,6,6a-hexahydro-1H-pentalen-3a-yl)methanol is sourced from PubChem (CID 171769908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).