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

C10H16O — CID 134975636

IUPAC(3aS,6aS)-1-methyl-2-methylidene-3,3a,4,5,6,6a-hexahydropentalen-1-ol
SMILESC=C1C[C@@H]2CCC[C@@H]2C1(C)O
InChIInChI=1S/C10H16O/c1-7-6-8-4-3-5-9(8)10(7,2)11/h8-9,11H,1,3-6H2,2H3/t8-,9-,10?/m0/s1
InChIKeySYBNUVVUBBFNFE-XMCUXHSSSA-N
MW152.24 g/mol
LogP2.11
Rot. Bonds

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

(3aS,6aS)-1-methyl-2-methylidene-3,3a,4,5,6,6a-hexahydropentalen-1-ol (PubChem CID 134975636) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is (3aS,6aS)-1-methyl-2-methylidene-3,3a,4,5,6,6a-hexahydropentalen-1-ol.

Molecular Properties

Compound Name(3aS,6aS)-1-methyl-2-methylidene-3,3a,4,5,6,6a-hexahydropentalen-1-ol
PubChem CID134975636
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name(3aS,6aS)-1-methyl-2-methylidene-3,3a,4,5,6,6a-hexahydropentalen-1-ol
SMILESC=C1C[C@@H]2CCC[C@@H]2C1(C)O
InChIInChI=1S/C10H16O/c1-7-6-8-4-3-5-9(8)10(7,2)11/h8-9,11H,1,3-6H2,2H3/t8-,9-,10?/m0/s1
InChIKeySYBNUVVUBBFNFE-XMCUXHSSSA-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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Frequently Asked Questions

What is the IUPAC name of (3aS,6aS)-1-methyl-2-methylidene-3,3a,4,5,6,6a-hexahydropentalen-1-ol?
The IUPAC name of (3aS,6aS)-1-methyl-2-methylidene-3,3a,4,5,6,6a-hexahydropentalen-1-ol (CID 134975636) is (3aS,6aS)-1-methyl-2-methylidene-3,3a,4,5,6,6a-hexahydropentalen-1-ol.
What is the SMILES notation for (3aS,6aS)-1-methyl-2-methylidene-3,3a,4,5,6,6a-hexahydropentalen-1-ol?
The canonical SMILES for (3aS,6aS)-1-methyl-2-methylidene-3,3a,4,5,6,6a-hexahydropentalen-1-ol is C=C1C[C@@H]2CCC[C@@H]2C1(C)O.
What is the InChIKey of (3aS,6aS)-1-methyl-2-methylidene-3,3a,4,5,6,6a-hexahydropentalen-1-ol?
The InChIKey is SYBNUVVUBBFNFE-XMCUXHSSSA-N. The full InChI is InChI=1S/C10H16O/c1-7-6-8-4-3-5-9(8)10(7,2)11/h8-9,11H,1,3-6H2,2H3/t8-,9-,10?/m0/s1.
What are the key properties of (3aS,6aS)-1-methyl-2-methylidene-3,3a,4,5,6,6a-hexahydropentalen-1-ol?
(3aS,6aS)-1-methyl-2-methylidene-3,3a,4,5,6,6a-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 (3aS,6aS)-1-methyl-2-methylidene-3,3a,4,5,6,6a-hexahydropentalen-1-ol is sourced from PubChem (CID 134975636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).