[(1S,4R)-4-propan-2-ylcyclohex-2-en-1-yl]methanol

C10H18O — CID 91700324

IUPAC[(1S,4R)-4-propan-2-ylcyclohex-2-en-1-yl]methanol
SMILESCC(C)[C@@H]1C=C[C@@H](CO)CC1
InChIInChI=1S/C10H18O/c1-8(2)10-5-3-9(7-11)4-6-10/h3,5,8-11H,4,6-7H2,1-2H3/t9-,10-/m1/s1
InChIKeyJWRJGMUBDGIGRT-NXEZZACHSA-N
MW154.25 g/mol
LogP2.22
Rot. Bonds2

About [(1S,4R)-4-propan-2-ylcyclohex-2-en-1-yl]methanol

[(1S,4R)-4-propan-2-ylcyclohex-2-en-1-yl]methanol (PubChem CID 91700324) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is [(1S,4R)-4-propan-2-ylcyclohex-2-en-1-yl]methanol.

Molecular Properties

Compound Name[(1S,4R)-4-propan-2-ylcyclohex-2-en-1-yl]methanol
PubChem CID91700324
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name[(1S,4R)-4-propan-2-ylcyclohex-2-en-1-yl]methanol
SMILESCC(C)[C@@H]1C=C[C@@H](CO)CC1
InChIInChI=1S/C10H18O/c1-8(2)10-5-3-9(7-11)4-6-10/h3,5,8-11H,4,6-7H2,1-2H3/t9-,10-/m1/s1
InChIKeyJWRJGMUBDGIGRT-NXEZZACHSA-N
XLogP2.22
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.22
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 [(1S,4R)-4-propan-2-ylcyclohex-2-en-1-yl]methanol?
The IUPAC name of [(1S,4R)-4-propan-2-ylcyclohex-2-en-1-yl]methanol (CID 91700324) is [(1S,4R)-4-propan-2-ylcyclohex-2-en-1-yl]methanol.
What is the SMILES notation for [(1S,4R)-4-propan-2-ylcyclohex-2-en-1-yl]methanol?
The canonical SMILES for [(1S,4R)-4-propan-2-ylcyclohex-2-en-1-yl]methanol is CC(C)[C@@H]1C=C[C@@H](CO)CC1.
What is the InChIKey of [(1S,4R)-4-propan-2-ylcyclohex-2-en-1-yl]methanol?
The InChIKey is JWRJGMUBDGIGRT-NXEZZACHSA-N. The full InChI is InChI=1S/C10H18O/c1-8(2)10-5-3-9(7-11)4-6-10/h3,5,8-11H,4,6-7H2,1-2H3/t9-,10-/m1/s1.
What are the key properties of [(1S,4R)-4-propan-2-ylcyclohex-2-en-1-yl]methanol?
[(1S,4R)-4-propan-2-ylcyclohex-2-en-1-yl]methanol has a molecular weight of 154.25 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,4R)-4-propan-2-ylcyclohex-2-en-1-yl]methanol is sourced from PubChem (CID 91700324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).