2-methyl-5-(2-methyl-3-methylidene-2-bicyclo[2.2.1]heptanyl)pent-1-en-3-ol

C15H24O — CID 54129686

IUPAC2-methyl-5-(2-methyl-3-methylidene-2-bicyclo[2.2.1]heptanyl)pent-1-en-3-ol
SMILESC=C(C)C(O)CCC1(C)C(=C)C2CCC1C2
InChIInChI=1S/C15H24O/c1-10(2)14(16)7-8-15(4)11(3)12-5-6-13(15)9-12/h12-14,16H,1,3,5-9H2,2,4H3
InChIKeyNTLZMJLQRHPWMB-UHFFFAOYSA-N
MW220.36 g/mol
LogP3.70
Rot. Bonds4

About 2-methyl-5-(2-methyl-3-methylidene-2-bicyclo[2.2.1]heptanyl)pent-1-en-3-ol

2-methyl-5-(2-methyl-3-methylidene-2-bicyclo[2.2.1]heptanyl)pent-1-en-3-ol (PubChem CID 54129686) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is 2-methyl-5-(2-methyl-3-methylidene-2-bicyclo[2.2.1]heptanyl)pent-1-en-3-ol.

Molecular Properties

Compound Name2-methyl-5-(2-methyl-3-methylidene-2-bicyclo[2.2.1]heptanyl)pent-1-en-3-ol
PubChem CID54129686
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name2-methyl-5-(2-methyl-3-methylidene-2-bicyclo[2.2.1]heptanyl)pent-1-en-3-ol
SMILESC=C(C)C(O)CCC1(C)C(=C)C2CCC1C2
InChIInChI=1S/C15H24O/c1-10(2)14(16)7-8-15(4)11(3)12-5-6-13(15)9-12/h12-14,16H,1,3,5-9H2,2,4H3
InChIKeyNTLZMJLQRHPWMB-UHFFFAOYSA-N
XLogP3.70
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
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 2-methyl-5-(2-methyl-3-methylidene-2-bicyclo[2.2.1]heptanyl)pent-1-en-3-ol?
The IUPAC name of 2-methyl-5-(2-methyl-3-methylidene-2-bicyclo[2.2.1]heptanyl)pent-1-en-3-ol (CID 54129686) is 2-methyl-5-(2-methyl-3-methylidene-2-bicyclo[2.2.1]heptanyl)pent-1-en-3-ol.
What is the SMILES notation for 2-methyl-5-(2-methyl-3-methylidene-2-bicyclo[2.2.1]heptanyl)pent-1-en-3-ol?
The canonical SMILES for 2-methyl-5-(2-methyl-3-methylidene-2-bicyclo[2.2.1]heptanyl)pent-1-en-3-ol is C=C(C)C(O)CCC1(C)C(=C)C2CCC1C2.
What is the InChIKey of 2-methyl-5-(2-methyl-3-methylidene-2-bicyclo[2.2.1]heptanyl)pent-1-en-3-ol?
The InChIKey is NTLZMJLQRHPWMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O/c1-10(2)14(16)7-8-15(4)11(3)12-5-6-13(15)9-12/h12-14,16H,1,3,5-9H2,2,4H3.
What are the key properties of 2-methyl-5-(2-methyl-3-methylidene-2-bicyclo[2.2.1]heptanyl)pent-1-en-3-ol?
2-methyl-5-(2-methyl-3-methylidene-2-bicyclo[2.2.1]heptanyl)pent-1-en-3-ol has a molecular weight of 220.36 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(2-methyl-3-methylidene-2-bicyclo[2.2.1]heptanyl)pent-1-en-3-ol is sourced from PubChem (CID 54129686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).