(4R)-2,3,7-trimethylspiro[3.3]heptane-2-thiol

C10H18S — CID 138516988

IUPAC(4R)-2,3,7-trimethylspiro[3.3]heptane-2-thiol
SMILESCC1CC[C@@]12CC(C)(S)C2C
InChIInChI=1S/C10H18S/c1-7-4-5-10(7)6-9(3,11)8(10)2/h7-8,11H,4-6H2,1-3H3/t7?,8?,9?,10-/m1/s1
InChIKeyHZRLUXCWDIQAHU-SYZWKDNESA-N
MW170.32 g/mol
LogP3.13
Rot. Bonds

About (4R)-2,3,7-trimethylspiro[3.3]heptane-2-thiol

(4R)-2,3,7-trimethylspiro[3.3]heptane-2-thiol (PubChem CID 138516988) has the molecular formula C10H18S and a molecular weight of 170.32 g/mol. Its IUPAC name is (4R)-2,3,7-trimethylspiro[3.3]heptane-2-thiol.

Molecular Properties

Compound Name(4R)-2,3,7-trimethylspiro[3.3]heptane-2-thiol
PubChem CID138516988
Molecular FormulaC10H18S
Molecular Weight170.32 g/mol
Exact Mass170.11
IUPAC Name(4R)-2,3,7-trimethylspiro[3.3]heptane-2-thiol
SMILESCC1CC[C@@]12CC(C)(S)C2C
InChIInChI=1S/C10H18S/c1-7-4-5-10(7)6-9(3,11)8(10)2/h7-8,11H,4-6H2,1-3H3/t7?,8?,9?,10-/m1/s1
InChIKeyHZRLUXCWDIQAHU-SYZWKDNESA-N
XLogP3.13
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.32
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4R)-2,3,7-trimethylspiro[3.3]heptane-2-thiol?
The IUPAC name of (4R)-2,3,7-trimethylspiro[3.3]heptane-2-thiol (CID 138516988) is (4R)-2,3,7-trimethylspiro[3.3]heptane-2-thiol.
What is the SMILES notation for (4R)-2,3,7-trimethylspiro[3.3]heptane-2-thiol?
The canonical SMILES for (4R)-2,3,7-trimethylspiro[3.3]heptane-2-thiol is CC1CC[C@@]12CC(C)(S)C2C.
What is the InChIKey of (4R)-2,3,7-trimethylspiro[3.3]heptane-2-thiol?
The InChIKey is HZRLUXCWDIQAHU-SYZWKDNESA-N. The full InChI is InChI=1S/C10H18S/c1-7-4-5-10(7)6-9(3,11)8(10)2/h7-8,11H,4-6H2,1-3H3/t7?,8?,9?,10-/m1/s1.
What are the key properties of (4R)-2,3,7-trimethylspiro[3.3]heptane-2-thiol?
(4R)-2,3,7-trimethylspiro[3.3]heptane-2-thiol has a molecular weight of 170.32 g/mol, XLogP of 3.13, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2,3,7-trimethylspiro[3.3]heptane-2-thiol is sourced from PubChem (CID 138516988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).