(3aS,4S,7aS)-1,1,3a,5-tetramethyl-2-methylidene-4-prop-2-enyl-7,7a-dihydro-3H-inden-4-ol

C17H26O — CID 102170248

IUPAC(3aS,4S,7aS)-1,1,3a,5-tetramethyl-2-methylidene-4-prop-2-enyl-7,7a-dihydro-3H-inden-4-ol
SMILESC=CC[C@]1(O)C(C)=CC[C@H]2C(C)(C)C(=C)C[C@@]21C
InChIInChI=1S/C17H26O/c1-7-10-17(18)12(2)8-9-14-15(4,5)13(3)11-16(14,17)6/h7-8,14,18H,1,3,9-11H2,2,4-6H3/t14-,16-,17-/m0/s1
InChIKeyBTLKMTJGIUKUMV-XIRDDKMYSA-N
MW246.39 g/mol
LogP4.25
Rot. Bonds2

About (3aS,4S,7aS)-1,1,3a,5-tetramethyl-2-methylidene-4-prop-2-enyl-7,7a-dihydro-3H-inden-4-ol

(3aS,4S,7aS)-1,1,3a,5-tetramethyl-2-methylidene-4-prop-2-enyl-7,7a-dihydro-3H-inden-4-ol (PubChem CID 102170248) has the molecular formula C17H26O and a molecular weight of 246.39 g/mol. Its IUPAC name is (3aS,4S,7aS)-1,1,3a,5-tetramethyl-2-methylidene-4-prop-2-enyl-7,7a-dihydro-3H-inden-4-ol.

Molecular Properties

Compound Name(3aS,4S,7aS)-1,1,3a,5-tetramethyl-2-methylidene-4-prop-2-enyl-7,7a-dihydro-3H-inden-4-ol
PubChem CID102170248
Molecular FormulaC17H26O
Molecular Weight246.39 g/mol
Exact Mass246.20
IUPAC Name(3aS,4S,7aS)-1,1,3a,5-tetramethyl-2-methylidene-4-prop-2-enyl-7,7a-dihydro-3H-inden-4-ol
SMILESC=CC[C@]1(O)C(C)=CC[C@H]2C(C)(C)C(=C)C[C@@]21C
InChIInChI=1S/C17H26O/c1-7-10-17(18)12(2)8-9-14-15(4,5)13(3)11-16(14,17)6/h7-8,14,18H,1,3,9-11H2,2,4-6H3/t14-,16-,17-/m0/s1
InChIKeyBTLKMTJGIUKUMV-XIRDDKMYSA-N
XLogP4.25
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.39
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3aS,4S,7aS)-1,1,3a,5-tetramethyl-2-methylidene-4-prop-2-enyl-7,7a-dihydro-3H-inden-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3aS,4S,7aS)-1,1,3a,5-tetramethyl-2-methylidene-4-prop-2-enyl-7,7a-dihydro-3H-inden-4-ol?
The IUPAC name of (3aS,4S,7aS)-1,1,3a,5-tetramethyl-2-methylidene-4-prop-2-enyl-7,7a-dihydro-3H-inden-4-ol (CID 102170248) is (3aS,4S,7aS)-1,1,3a,5-tetramethyl-2-methylidene-4-prop-2-enyl-7,7a-dihydro-3H-inden-4-ol.
What is the SMILES notation for (3aS,4S,7aS)-1,1,3a,5-tetramethyl-2-methylidene-4-prop-2-enyl-7,7a-dihydro-3H-inden-4-ol?
The canonical SMILES for (3aS,4S,7aS)-1,1,3a,5-tetramethyl-2-methylidene-4-prop-2-enyl-7,7a-dihydro-3H-inden-4-ol is C=CC[C@]1(O)C(C)=CC[C@H]2C(C)(C)C(=C)C[C@@]21C.
What is the InChIKey of (3aS,4S,7aS)-1,1,3a,5-tetramethyl-2-methylidene-4-prop-2-enyl-7,7a-dihydro-3H-inden-4-ol?
The InChIKey is BTLKMTJGIUKUMV-XIRDDKMYSA-N. The full InChI is InChI=1S/C17H26O/c1-7-10-17(18)12(2)8-9-14-15(4,5)13(3)11-16(14,17)6/h7-8,14,18H,1,3,9-11H2,2,4-6H3/t14-,16-,17-/m0/s1.
What are the key properties of (3aS,4S,7aS)-1,1,3a,5-tetramethyl-2-methylidene-4-prop-2-enyl-7,7a-dihydro-3H-inden-4-ol?
(3aS,4S,7aS)-1,1,3a,5-tetramethyl-2-methylidene-4-prop-2-enyl-7,7a-dihydro-3H-inden-4-ol has a molecular weight of 246.39 g/mol, XLogP of 4.25, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,4S,7aS)-1,1,3a,5-tetramethyl-2-methylidene-4-prop-2-enyl-7,7a-dihydro-3H-inden-4-ol is sourced from PubChem (CID 102170248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).