3a,6-dimethyl-4,6a-dihydro-1H-pentalen-1-ol

C10H14O — CID 14830960

IUPAC3a,6-dimethyl-4,6a-dihydro-1H-pentalen-1-ol
SMILESCC1=CCC2(C)C=CC(O)C12
InChIInChI=1S/C10H14O/c1-7-3-5-10(2)6-4-8(11)9(7)10/h3-4,6,8-9,11H,5H2,1-2H3
InChIKeyUSNDQKRRJNXCJN-UHFFFAOYSA-N
MW150.22 g/mol
LogP1.89
Rot. Bonds

About 3a,6-dimethyl-4,6a-dihydro-1H-pentalen-1-ol

3a,6-dimethyl-4,6a-dihydro-1H-pentalen-1-ol (PubChem CID 14830960) has the molecular formula C10H14O and a molecular weight of 150.22 g/mol. Its IUPAC name is 3a,6-dimethyl-4,6a-dihydro-1H-pentalen-1-ol.

Molecular Properties

Compound Name3a,6-dimethyl-4,6a-dihydro-1H-pentalen-1-ol
PubChem CID14830960
Molecular FormulaC10H14O
Molecular Weight150.22 g/mol
Exact Mass150.10
IUPAC Name3a,6-dimethyl-4,6a-dihydro-1H-pentalen-1-ol
SMILESCC1=CCC2(C)C=CC(O)C12
InChIInChI=1S/C10H14O/c1-7-3-5-10(2)6-4-8(11)9(7)10/h3-4,6,8-9,11H,5H2,1-2H3
InChIKeyUSNDQKRRJNXCJN-UHFFFAOYSA-N
XLogP1.89
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1R,5S,6S)-1,4-dimethylbicyclo[3.2.0]hept-3-en-6-ol
CID 10953589
(1R,6S)-1,4-dimethylbicyclo[3.2.0]hept-3-en-6-ol
CID 130891185
(1R,6S,9S)-1-methylbicyclo[4.2.1]non-7-en-9-ol
CID 130927406
acetic acid;(1S,5R,6R)-2,7,7-trimethylbicyclo[3.1.1]hept-2-en-6-ol
CID 71366452
acetic acid;2,7,7-trimethylbicyclo[3.1.1]hept-2-en-6-ol
CID 53446902
6-bromo-2,6-dimethylcyclohexa-2,4-dien-1-ol
CID 21293799
2,6,6-trimethylcyclohex-2-ene-1,4-diol
CID 85299248
(2R,4S,7R)-2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undec-8-en-4-ol
CID 5315464
(1R,5R)-1,4-dimethylbicyclo[3.2.1]oct-3-en-6-one
CID 130942088
[(1R,5R,6R)-2,6-dimethyl-6-bicyclo[3.1.1]hept-2-enyl]methanol
CID 12600906
(2E,11E)-2,6,10,10-tetramethylcyclododeca-2,6,7,11-tetraen-1-ol
CID 177466092
1-methylcyclopent-4-ene-1,3-diol
CID 14083582

Frequently Asked Questions

What is the IUPAC name of 3a,6-dimethyl-4,6a-dihydro-1H-pentalen-1-ol?
The IUPAC name of 3a,6-dimethyl-4,6a-dihydro-1H-pentalen-1-ol (CID 14830960) is 3a,6-dimethyl-4,6a-dihydro-1H-pentalen-1-ol.
What is the SMILES notation for 3a,6-dimethyl-4,6a-dihydro-1H-pentalen-1-ol?
The canonical SMILES for 3a,6-dimethyl-4,6a-dihydro-1H-pentalen-1-ol is CC1=CCC2(C)C=CC(O)C12.
What is the InChIKey of 3a,6-dimethyl-4,6a-dihydro-1H-pentalen-1-ol?
The InChIKey is USNDQKRRJNXCJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O/c1-7-3-5-10(2)6-4-8(11)9(7)10/h3-4,6,8-9,11H,5H2,1-2H3.
What are the key properties of 3a,6-dimethyl-4,6a-dihydro-1H-pentalen-1-ol?
3a,6-dimethyl-4,6a-dihydro-1H-pentalen-1-ol has a molecular weight of 150.22 g/mol, XLogP of 1.89, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3a,6-dimethyl-4,6a-dihydro-1H-pentalen-1-ol is sourced from PubChem (CID 14830960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).