7-methyl-4-methylidene-1-propan-2-yl-1,2,3,5,6,8a-hexahydronaphthalen-4a-ol

C15H24O — CID 14083565

IUPAC7-methyl-4-methylidene-1-propan-2-yl-1,2,3,5,6,8a-hexahydronaphthalen-4a-ol
SMILESC=C1CCC(C(C)C)C2C=C(C)CCC12O
InChIInChI=1S/C15H24O/c1-10(2)13-6-5-12(4)15(16)8-7-11(3)9-14(13)15/h9-10,13-14,16H,4-8H2,1-3H3
InChIKeyURABJKMBRKSXSG-UHFFFAOYSA-N
MW220.36 g/mol
LogP3.70
Rot. Bonds1

About 7-methyl-4-methylidene-1-propan-2-yl-1,2,3,5,6,8a-hexahydronaphthalen-4a-ol

7-methyl-4-methylidene-1-propan-2-yl-1,2,3,5,6,8a-hexahydronaphthalen-4a-ol (PubChem CID 14083565) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is 7-methyl-4-methylidene-1-propan-2-yl-1,2,3,5,6,8a-hexahydronaphthalen-4a-ol.

Molecular Properties

Compound Name7-methyl-4-methylidene-1-propan-2-yl-1,2,3,5,6,8a-hexahydronaphthalen-4a-ol
PubChem CID14083565
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name7-methyl-4-methylidene-1-propan-2-yl-1,2,3,5,6,8a-hexahydronaphthalen-4a-ol
SMILESC=C1CCC(C(C)C)C2C=C(C)CCC12O
InChIInChI=1S/C15H24O/c1-10(2)13-6-5-12(4)15(16)8-7-11(3)9-14(13)15/h9-10,13-14,16H,4-8H2,1-3H3
InChIKeyURABJKMBRKSXSG-UHFFFAOYSA-N
XLogP3.70
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.70
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 7-methyl-4-methylidene-1-propan-2-yl-1,2,3,5,6,8a-hexahydronaphthalen-4a-ol?
The IUPAC name of 7-methyl-4-methylidene-1-propan-2-yl-1,2,3,5,6,8a-hexahydronaphthalen-4a-ol (CID 14083565) is 7-methyl-4-methylidene-1-propan-2-yl-1,2,3,5,6,8a-hexahydronaphthalen-4a-ol.
What is the SMILES notation for 7-methyl-4-methylidene-1-propan-2-yl-1,2,3,5,6,8a-hexahydronaphthalen-4a-ol?
The canonical SMILES for 7-methyl-4-methylidene-1-propan-2-yl-1,2,3,5,6,8a-hexahydronaphthalen-4a-ol is C=C1CCC(C(C)C)C2C=C(C)CCC12O.
What is the InChIKey of 7-methyl-4-methylidene-1-propan-2-yl-1,2,3,5,6,8a-hexahydronaphthalen-4a-ol?
The InChIKey is URABJKMBRKSXSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O/c1-10(2)13-6-5-12(4)15(16)8-7-11(3)9-14(13)15/h9-10,13-14,16H,4-8H2,1-3H3.
What are the key properties of 7-methyl-4-methylidene-1-propan-2-yl-1,2,3,5,6,8a-hexahydronaphthalen-4a-ol?
7-methyl-4-methylidene-1-propan-2-yl-1,2,3,5,6,8a-hexahydronaphthalen-4a-ol has a molecular weight of 220.36 g/mol, XLogP of 3.70, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-4-methylidene-1-propan-2-yl-1,2,3,5,6,8a-hexahydronaphthalen-4a-ol is sourced from PubChem (CID 14083565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).