6a-methyl-4-methylidene-1,2,3,3a,5,6-hexahydropentalen-1-ol

C10H16O — CID 14262022

IUPAC6a-methyl-4-methylidene-1,2,3,3a,5,6-hexahydropentalen-1-ol
SMILESC=C1CCC2(C)C(O)CCC12
InChIInChI=1S/C10H16O/c1-7-5-6-10(2)8(7)3-4-9(10)11/h8-9,11H,1,3-6H2,2H3
InChIKeyNKDBVVVSKBOOBJ-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.11
Rot. Bonds

About 6a-methyl-4-methylidene-1,2,3,3a,5,6-hexahydropentalen-1-ol

6a-methyl-4-methylidene-1,2,3,3a,5,6-hexahydropentalen-1-ol (PubChem CID 14262022) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is 6a-methyl-4-methylidene-1,2,3,3a,5,6-hexahydropentalen-1-ol.

Molecular Properties

Compound Name6a-methyl-4-methylidene-1,2,3,3a,5,6-hexahydropentalen-1-ol
PubChem CID14262022
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name6a-methyl-4-methylidene-1,2,3,3a,5,6-hexahydropentalen-1-ol
SMILESC=C1CCC2(C)C(O)CCC12
InChIInChI=1S/C10H16O/c1-7-5-6-10(2)8(7)3-4-9(10)11/h8-9,11H,1,3-6H2,2H3
InChIKeyNKDBVVVSKBOOBJ-UHFFFAOYSA-N
XLogP2.11
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.11
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

(1S,4aR,8aS)-6-(1-hydroxypropan-2-ylidene)-8a-methyl-4-methylidene-2,3,4a,5,7,8-hexahydro-1H-naphthalen-1-ol
CID 162922460
(3aS)-1,7a-dimethyl-4-methylidene-2,3,3a,5,6,7-hexahydro-1H-indene
CID 142040574
(3S,5S)-10,13-dimethyl-2,3,4,5,6,7,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol
CID 6431163
(13R,14R,17R)-13-methyl-6,7,11,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-17-ol
CID 59912600
(1R,2R,4aR,5R,8aS)-4a-methyl-8-methylidene-2-propan-2-yl-1,2,3,4,5,6,7,8a-octahydronaphthalene-1,5-diol
CID 10466747
(1S,2R,4aS,5S,8aS)-4a-methyl-8-methylidene-2-propan-2-yl-1,2,3,4,5,6,7,8a-octahydronaphthalene-1,5-diol
CID 162905517
8a-methyl-5-methylidene-3-propan-2-yl-1,2,3,3a,4,6,7,8-octahydroazulene-4,8-diol
CID 75221124
ethane;(13R,14R,17S)-13-methyl-11,12,14,15,16,17-hexahydrocyclopenta[a]phenanthren-17-ol
CID 91344405
(10R,13S,14S)-10,13-dimethyl-4,5,6,7,11,12,14,15,16,17-decahydro-3H-cyclopenta[a]phenanthrene-3,17-diol
CID 66708611
(1R)-8a-methyl-4-methylidene-6-propan-2-yl-1,2,3,4a,5,8-hexahydronaphthalen-1-ol
CID 91751364
(1R,3aR,4R,7aS)-1-(2-hydroxy-2-methylpropyl)-3a-methyl-7-methylidene-2,3,4,5,6,7a-hexahydro-1H-inden-4-ol
CID 56672124
(13S)-13-methyl-6,7,11,12,14,15,16,17-octahydrocyclopenta[a]phenanthrene-3,17-diol
CID 142815627

Frequently Asked Questions

What is the IUPAC name of 6a-methyl-4-methylidene-1,2,3,3a,5,6-hexahydropentalen-1-ol?
The IUPAC name of 6a-methyl-4-methylidene-1,2,3,3a,5,6-hexahydropentalen-1-ol (CID 14262022) is 6a-methyl-4-methylidene-1,2,3,3a,5,6-hexahydropentalen-1-ol.
What is the SMILES notation for 6a-methyl-4-methylidene-1,2,3,3a,5,6-hexahydropentalen-1-ol?
The canonical SMILES for 6a-methyl-4-methylidene-1,2,3,3a,5,6-hexahydropentalen-1-ol is C=C1CCC2(C)C(O)CCC12.
What is the InChIKey of 6a-methyl-4-methylidene-1,2,3,3a,5,6-hexahydropentalen-1-ol?
The InChIKey is NKDBVVVSKBOOBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O/c1-7-5-6-10(2)8(7)3-4-9(10)11/h8-9,11H,1,3-6H2,2H3.
What are the key properties of 6a-methyl-4-methylidene-1,2,3,3a,5,6-hexahydropentalen-1-ol?
6a-methyl-4-methylidene-1,2,3,3a,5,6-hexahydropentalen-1-ol has a molecular weight of 152.24 g/mol, XLogP of 2.11, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6a-methyl-4-methylidene-1,2,3,3a,5,6-hexahydropentalen-1-ol is sourced from PubChem (CID 14262022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).