(5R,6S,9R,10S)-3,6-dimethyl-9-propan-2-ylspiro[4.5]dec-3-en-10-ol

C15H26O — CID 11206830

IUPAC(5R,6S,9R,10S)-3,6-dimethyl-9-propan-2-ylspiro[4.5]dec-3-en-10-ol
SMILESCC1=C[C@@]2(CC1)[C@@H](C)CC[C@H](C(C)C)[C@@H]2O
InChIInChI=1S/C15H26O/c1-10(2)13-6-5-12(4)15(14(13)16)8-7-11(3)9-15/h9-10,12-14,16H,5-8H2,1-4H3/t12-,13+,14-,15-/m0/s1
InChIKeyMYLXGCVCCZCOHU-XGUBFFRZSA-N
MW222.37 g/mol
LogP3.78
Rot. Bonds1

About (5R,6S,9R,10S)-3,6-dimethyl-9-propan-2-ylspiro[4.5]dec-3-en-10-ol

(5R,6S,9R,10S)-3,6-dimethyl-9-propan-2-ylspiro[4.5]dec-3-en-10-ol (PubChem CID 11206830) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is (5R,6S,9R,10S)-3,6-dimethyl-9-propan-2-ylspiro[4.5]dec-3-en-10-ol.

Molecular Properties

Compound Name(5R,6S,9R,10S)-3,6-dimethyl-9-propan-2-ylspiro[4.5]dec-3-en-10-ol
PubChem CID11206830
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Name(5R,6S,9R,10S)-3,6-dimethyl-9-propan-2-ylspiro[4.5]dec-3-en-10-ol
SMILESCC1=C[C@@]2(CC1)[C@@H](C)CC[C@H](C(C)C)[C@@H]2O
InChIInChI=1S/C15H26O/c1-10(2)13-6-5-12(4)15(14(13)16)8-7-11(3)9-15/h9-10,12-14,16H,5-8H2,1-4H3/t12-,13+,14-,15-/m0/s1
InChIKeyMYLXGCVCCZCOHU-XGUBFFRZSA-N
XLogP3.78
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.37
LogP ≤ 53.78
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 (5R,6S,9R,10S)-3,6-dimethyl-9-propan-2-ylspiro[4.5]dec-3-en-10-ol?
The IUPAC name of (5R,6S,9R,10S)-3,6-dimethyl-9-propan-2-ylspiro[4.5]dec-3-en-10-ol (CID 11206830) is (5R,6S,9R,10S)-3,6-dimethyl-9-propan-2-ylspiro[4.5]dec-3-en-10-ol.
What is the SMILES notation for (5R,6S,9R,10S)-3,6-dimethyl-9-propan-2-ylspiro[4.5]dec-3-en-10-ol?
The canonical SMILES for (5R,6S,9R,10S)-3,6-dimethyl-9-propan-2-ylspiro[4.5]dec-3-en-10-ol is CC1=C[C@@]2(CC1)[C@@H](C)CC[C@H](C(C)C)[C@@H]2O.
What is the InChIKey of (5R,6S,9R,10S)-3,6-dimethyl-9-propan-2-ylspiro[4.5]dec-3-en-10-ol?
The InChIKey is MYLXGCVCCZCOHU-XGUBFFRZSA-N. The full InChI is InChI=1S/C15H26O/c1-10(2)13-6-5-12(4)15(14(13)16)8-7-11(3)9-15/h9-10,12-14,16H,5-8H2,1-4H3/t12-,13+,14-,15-/m0/s1.
What are the key properties of (5R,6S,9R,10S)-3,6-dimethyl-9-propan-2-ylspiro[4.5]dec-3-en-10-ol?
(5R,6S,9R,10S)-3,6-dimethyl-9-propan-2-ylspiro[4.5]dec-3-en-10-ol has a molecular weight of 222.37 g/mol, XLogP of 3.78, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6S,9R,10S)-3,6-dimethyl-9-propan-2-ylspiro[4.5]dec-3-en-10-ol is sourced from PubChem (CID 11206830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).